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        <a href="p4vasp-module.html">Package&nbsp;p4vasp</a> ::
        Module&nbsp;cStructure
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<h1 class="epydoc">Source Code for <a href="p4vasp.cStructure-module.html">Module p4vasp.cStructure</a></h1>
<pre class="py-src">
<a name="L1"></a><tt class="py-lineno">  1</tt>  <tt class="py-line"><tt class="py-comment">#  p4vasp is a GUI-program and a library for processing outputs of the</tt> </tt>
<a name="L2"></a><tt class="py-lineno">  2</tt>  <tt class="py-line"><tt class="py-comment">#  Vienna Ab-inition Simulation Package (VASP)</tt> </tt>
<a name="L3"></a><tt class="py-lineno">  3</tt>  <tt class="py-line"><tt class="py-comment">#  (see http://cms.mpi.univie.ac.at/vasp/Welcome.html)</tt> </tt>
<a name="L4"></a><tt class="py-lineno">  4</tt>  <tt class="py-line"><tt class="py-comment">#</tt> </tt>
<a name="L5"></a><tt class="py-lineno">  5</tt>  <tt class="py-line"><tt class="py-comment">#  Copyright (C) 2003  Orest Dubay &lt;odubay@users.sourceforge.net&gt;</tt> </tt>
<a name="L6"></a><tt class="py-lineno">  6</tt>  <tt class="py-line"><tt class="py-comment">#</tt> </tt>
<a name="L7"></a><tt class="py-lineno">  7</tt>  <tt class="py-line"><tt class="py-comment">#  This program is free software; you can redistribute it and/or modify</tt> </tt>
<a name="L8"></a><tt class="py-lineno">  8</tt>  <tt class="py-line"><tt class="py-comment">#  it under the terms of the GNU General Public License as published by</tt> </tt>
<a name="L9"></a><tt class="py-lineno">  9</tt>  <tt class="py-line"><tt class="py-comment">#  the Free Software Foundation; either version 2 of the License, or</tt> </tt>
<a name="L10"></a><tt class="py-lineno"> 10</tt>  <tt class="py-line"><tt class="py-comment">#  (at your option) any later version.</tt> </tt>
<a name="L11"></a><tt class="py-lineno"> 11</tt>  <tt class="py-line"><tt class="py-comment">#</tt> </tt>
<a name="L12"></a><tt class="py-lineno"> 12</tt>  <tt class="py-line"><tt class="py-comment">#  This program is distributed in the hope that it will be useful,</tt> </tt>
<a name="L13"></a><tt class="py-lineno"> 13</tt>  <tt class="py-line"><tt class="py-comment">#  but WITHOUT ANY WARRANTY; without even the implied warranty of</tt> </tt>
<a name="L14"></a><tt class="py-lineno"> 14</tt>  <tt class="py-line"><tt class="py-comment">#  MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the</tt> </tt>
<a name="L15"></a><tt class="py-lineno"> 15</tt>  <tt class="py-line"><tt class="py-comment">#  GNU General Public License for more details.</tt> </tt>
<a name="L16"></a><tt class="py-lineno"> 16</tt>  <tt class="py-line"><tt class="py-comment">#</tt> </tt>
<a name="L17"></a><tt class="py-lineno"> 17</tt>  <tt class="py-line"><tt class="py-comment">#   You should have received a copy of the GNU General Public License</tt> </tt>
<a name="L18"></a><tt class="py-lineno"> 18</tt>  <tt class="py-line"><tt class="py-comment">#  along with this program; if not, write to the Free Software</tt> </tt>
<a name="L19"></a><tt class="py-lineno"> 19</tt>  <tt class="py-line"><tt class="py-comment">#  Foundation, Inc., 59 Temple Place, Suite 330, Boston, MA  02111-1307  USA</tt> </tt>
<a name="L20"></a><tt class="py-lineno"> 20</tt>  <tt class="py-line"> </tt>
<a name="L21"></a><tt class="py-lineno"> 21</tt>  <tt class="py-line"> </tt>
<a name="L22"></a><tt class="py-lineno"> 22</tt>  <tt class="py-line"><tt class="py-keyword">import</tt> <tt class="py-name">_cp4vasp</tt> </tt>
<a name="L23"></a><tt class="py-lineno"> 23</tt>  <tt class="py-line"><tt class="py-keyword">import</tt> <tt class="py-name">cp4vasp</tt> </tt>
<a name="L24"></a><tt class="py-lineno"> 24</tt>  <tt class="py-line"><tt class="py-keyword">import</tt> <tt id="link-0" class="py-name" targets="Package p4vasp=p4vasp-module.html"><a title="p4vasp" class="py-name" href="#" onclick="return doclink('link-0', 'p4vasp', 'link-0');">p4vasp</a></tt><tt class="py-op">.</tt><tt id="link-1" class="py-name" targets="Module p4vasp.util=p4vasp.util-module.html"><a title="p4vasp.util" class="py-name" href="#" onclick="return doclink('link-1', 'util', 'link-1');">util</a></tt> </tt>
<a name="L25"></a><tt class="py-lineno"> 25</tt>  <tt class="py-line"><tt class="py-keyword">import</tt> <tt id="link-2" class="py-name"><a title="p4vasp" class="py-name" href="#" onclick="return doclink('link-2', 'p4vasp', 'link-0');">p4vasp</a></tt><tt class="py-op">.</tt><tt id="link-3" class="py-name" targets="Module p4vasp.Structure=p4vasp.Structure-module.html,Class p4vasp.Structure.Structure=p4vasp.Structure.Structure-class.html,Class p4vasp.cStructure.Structure=p4vasp.cStructure.Structure-class.html"><a title="p4vasp.Structure
p4vasp.Structure.Structure
p4vasp.cStructure.Structure" class="py-name" href="#" onclick="return doclink('link-3', 'Structure', 'link-3');">Structure</a></tt> </tt>
<a name="L26"></a><tt class="py-lineno"> 26</tt>  <tt class="py-line"><tt class="py-keyword">import</tt> <tt id="link-4" class="py-name"><a title="p4vasp" class="py-name" href="#" onclick="return doclink('link-4', 'p4vasp', 'link-0');">p4vasp</a></tt><tt class="py-op">.</tt><tt id="link-5" class="py-name" targets="Module p4vasp.Array=p4vasp.Array-module.html,Class p4vasp.Array.Array=p4vasp.Array.Array-class.html"><a title="p4vasp.Array
p4vasp.Array.Array" class="py-name" href="#" onclick="return doclink('link-5', 'Array', 'link-5');">Array</a></tt> </tt>
<a name="L27"></a><tt class="py-lineno"> 27</tt>  <tt class="py-line"><tt class="py-keyword">from</tt> <tt class="py-name">types</tt> <tt class="py-keyword">import</tt> <tt class="py-op">*</tt> </tt>
<a name="L28"></a><tt class="py-lineno"> 28</tt>  <tt class="py-line"><tt class="py-keyword">from</tt> <tt id="link-6" class="py-name"><a title="p4vasp" class="py-name" href="#" onclick="return doclink('link-6', 'p4vasp', 'link-0');">p4vasp</a></tt><tt class="py-op">.</tt><tt id="link-7" class="py-name" targets="Module p4vasp.cmatrix=p4vasp.cmatrix-module.html"><a title="p4vasp.cmatrix" class="py-name" href="#" onclick="return doclink('link-7', 'cmatrix', 'link-7');">cmatrix</a></tt> <tt class="py-keyword">import</tt> <tt class="py-op">*</tt> </tt>
<a name="L29"></a><tt class="py-lineno"> 29</tt>  <tt class="py-line"> </tt>
<a name="L30"></a><tt class="py-lineno"> 30</tt>  <tt class="py-line"><tt id="link-8" class="py-name" targets="Variable p4vasp.cStructure.dummy_pointers=p4vasp.cStructure-module.html#dummy_pointers"><a title="p4vasp.cStructure.dummy_pointers" class="py-name" href="#" onclick="return doclink('link-8', 'dummy_pointers', 'link-8');">dummy_pointers</a></tt><tt class="py-op">=</tt><tt class="py-op">[</tt><tt class="py-op">]</tt> </tt>
<a name="L31"></a><tt class="py-lineno"> 31</tt>  <tt class="py-line"><tt id="link-9" class="py-name" targets="Variable p4vasp.cStructure.dummy_cstr=p4vasp.cStructure-module.html#dummy_cstr"><a title="p4vasp.cStructure.dummy_cstr" class="py-name" href="#" onclick="return doclink('link-9', 'dummy_cstr', 'link-9');">dummy_cstr</a></tt><tt class="py-op">=</tt><tt class="py-name">cp4vasp</tt><tt class="py-op">.</tt><tt id="link-10" class="py-name"><a title="p4vasp.Structure
p4vasp.Structure.Structure
p4vasp.cStructure.Structure" class="py-name" href="#" onclick="return doclink('link-10', 'Structure', 'link-3');">Structure</a></tt><tt class="py-op">(</tt><tt class="py-op">)</tt> </tt>
<a name="L32"></a><tt class="py-lineno"> 32</tt>  <tt class="py-line"><tt id="link-11" class="py-name" targets="Variable p4vasp.cStructure.PySwigObjectType=p4vasp.cStructure-module.html#PySwigObjectType"><a title="p4vasp.cStructure.PySwigObjectType" class="py-name" href="#" onclick="return doclink('link-11', 'PySwigObjectType', 'link-11');">PySwigObjectType</a></tt><tt class="py-op">=</tt><tt class="py-name">type</tt><tt class="py-op">(</tt><tt id="link-12" class="py-name"><a title="p4vasp.cStructure.dummy_cstr" class="py-name" href="#" onclick="return doclink('link-12', 'dummy_cstr', 'link-9');">dummy_cstr</a></tt><tt class="py-op">.</tt><tt class="py-name">this</tt><tt class="py-op">)</tt> </tt>
<a name="L33"></a><tt class="py-lineno"> 33</tt>  <tt class="py-line"> </tt>
<a name="save_dummy_pointer"></a><div id="save_dummy_pointer-def"><a name="L34"></a><tt class="py-lineno"> 34</tt> <a class="py-toggle" href="#" id="save_dummy_pointer-toggle" onclick="return toggle('save_dummy_pointer');">-</a><tt class="py-line"><tt class="py-keyword">def</tt> <a class="py-def-name" href="p4vasp.cStructure-module.html#save_dummy_pointer">save_dummy_pointer</a><tt class="py-op">(</tt><tt class="py-param">x</tt><tt class="py-op">)</tt><tt class="py-op">:</tt> </tt>
</div><div id="save_dummy_pointer-collapsed" style="display:none;" pad="+++" indent="++++"></div><div id="save_dummy_pointer-expanded"><a name="L35"></a><tt class="py-lineno"> 35</tt>  <tt class="py-line"><tt class="py-comment">#  dummy_pointers.append(x)</tt> </tt>
<a name="L36"></a><tt class="py-lineno"> 36</tt>  <tt class="py-line"><tt class="py-comment">#  print "dummy pointers:",dummy_pointers</tt> </tt>
<a name="L37"></a><tt class="py-lineno"> 37</tt>  <tt class="py-line">    <tt class="py-keyword">pass</tt> </tt>
</div><a name="L38"></a><tt class="py-lineno"> 38</tt>  <tt class="py-line"> </tt>
<a name="extractPointer"></a><div id="extractPointer-def"><a name="L39"></a><tt class="py-lineno"> 39</tt> <a class="py-toggle" href="#" id="extractPointer-toggle" onclick="return toggle('extractPointer');">-</a><tt class="py-line"><tt class="py-keyword">def</tt> <a class="py-def-name" href="p4vasp.cStructure-module.html#extractPointer">extractPointer</a><tt class="py-op">(</tt><tt class="py-param">x</tt><tt class="py-op">)</tt><tt class="py-op">:</tt> </tt>
</div><div id="extractPointer-collapsed" style="display:none;" pad="+++" indent="++++"></div><div id="extractPointer-expanded"><a name="L40"></a><tt class="py-lineno"> 40</tt>  <tt class="py-line"><tt class="py-comment">#  print "Extract pointer",x</tt> </tt>
<a name="L41"></a><tt class="py-lineno"> 41</tt>  <tt class="py-line"><tt class="py-comment">#  while type(x) is not StringType:</tt> </tt>
<a name="L42"></a><tt class="py-lineno"> 42</tt>  <tt class="py-line">    <tt class="py-keyword">while</tt> <tt class="py-name">type</tt><tt class="py-op">(</tt><tt class="py-name">x</tt><tt class="py-op">)</tt> <tt class="py-keyword">is</tt> <tt class="py-keyword">not</tt> <tt id="link-13" class="py-name"><a title="p4vasp.cStructure.PySwigObjectType" class="py-name" href="#" onclick="return doclink('link-13', 'PySwigObjectType', 'link-11');">PySwigObjectType</a></tt><tt class="py-op">:</tt> </tt>
<a name="L43"></a><tt class="py-lineno"> 43</tt>  <tt class="py-line"><tt class="py-comment">#    print "  extract",x</tt> </tt>
<a name="L44"></a><tt class="py-lineno"> 44</tt>  <tt class="py-line">        <tt class="py-name">s</tt><tt class="py-op">=</tt><tt class="py-name">x</tt><tt class="py-op">.</tt><tt class="py-name">this</tt> </tt>
<a name="L45"></a><tt class="py-lineno"> 45</tt>  <tt class="py-line">        <tt class="py-name">x</tt><tt class="py-op">.</tt><tt class="py-name">thisown</tt><tt class="py-op">=</tt><tt class="py-number">0</tt> </tt>
<a name="L46"></a><tt class="py-lineno"> 46</tt>  <tt class="py-line">        <tt class="py-keyword">del</tt> <tt class="py-name">x</tt> </tt>
<a name="L47"></a><tt class="py-lineno"> 47</tt>  <tt class="py-line">        <tt class="py-name">x</tt><tt class="py-op">=</tt><tt class="py-name">s</tt> </tt>
<a name="L48"></a><tt class="py-lineno"> 48</tt>  <tt class="py-line"><tt class="py-comment">#  print "  -----&gt;",x</tt> </tt>
<a name="L49"></a><tt class="py-lineno"> 49</tt>  <tt class="py-line"> </tt>
<a name="L50"></a><tt class="py-lineno"> 50</tt>  <tt class="py-line">    <tt class="py-keyword">return</tt> <tt class="py-name">x</tt> </tt>
</div><a name="L51"></a><tt class="py-lineno"> 51</tt>  <tt class="py-line"> </tt>
<a name="AtomtypesRecord"></a><div id="AtomtypesRecord-def"><a name="L52"></a><tt class="py-lineno"> 52</tt> <a class="py-toggle" href="#" id="AtomtypesRecord-toggle" onclick="return toggle('AtomtypesRecord');">-</a><tt class="py-line"><tt class="py-keyword">class</tt> <a class="py-def-name" href="p4vasp.cStructure.AtomtypesRecord-class.html">AtomtypesRecord</a><tt class="py-op">(</tt><tt class="py-base-class">cp4vasp</tt><tt class="py-op">.</tt><tt class="py-base-class">AtomtypesRecord</tt><tt class="py-op">,</tt><tt class="py-base-class">p4vasp</tt><tt class="py-op">.</tt><tt class="py-base-class">Structure</tt><tt class="py-op">.</tt><tt class="py-base-class">AtomtypesRecord</tt><tt class="py-op">)</tt><tt class="py-op">:</tt> </tt>
</div><div id="AtomtypesRecord-collapsed" style="display:none;" pad="+++" indent="++++"></div><div id="AtomtypesRecord-expanded"><a name="L53"></a><tt class="py-lineno"> 53</tt>  <tt class="py-line">    <tt id="link-14" class="py-name" targets="Variable p4vasp.cStructure.AtomtypesRecord._keys_=p4vasp.cStructure.AtomtypesRecord-class.html#_keys_"><a title="p4vasp.cStructure.AtomtypesRecord._keys_" class="py-name" href="#" onclick="return doclink('link-14', '_keys_', 'link-14');">_keys_</a></tt><tt class="py-op">=</tt><tt class="py-name">map</tt><tt class="py-op">(</tt><tt class="py-name">intern</tt><tt class="py-op">,</tt><tt class="py-op">[</tt><tt class="py-string">"element"</tt><tt class="py-op">,</tt> </tt>
<a name="L54"></a><tt class="py-lineno"> 54</tt>  <tt class="py-line">                       <tt class="py-string">"atomspertype"</tt><tt class="py-op">,</tt> </tt>
<a name="L55"></a><tt class="py-lineno"> 55</tt>  <tt class="py-line">                       <tt class="py-string">"mass"</tt><tt class="py-op">,</tt> </tt>
<a name="L56"></a><tt class="py-lineno"> 56</tt>  <tt class="py-line">                       <tt class="py-string">"valence"</tt><tt class="py-op">,</tt> </tt>
<a name="L57"></a><tt class="py-lineno"> 57</tt>  <tt class="py-line">                       <tt class="py-string">"pseudopotential"</tt><tt class="py-op">,</tt> </tt>
<a name="L58"></a><tt class="py-lineno"> 58</tt>  <tt class="py-line">                       <tt class="py-string">"radius"</tt><tt class="py-op">,</tt> </tt>
<a name="L59"></a><tt class="py-lineno"> 59</tt>  <tt class="py-line">                       <tt class="py-string">"covalent"</tt><tt class="py-op">,</tt> </tt>
<a name="L60"></a><tt class="py-lineno"> 60</tt>  <tt class="py-line">                       <tt class="py-string">"n"</tt><tt class="py-op">,</tt> </tt>
<a name="L61"></a><tt class="py-lineno"> 61</tt>  <tt class="py-line">                       <tt class="py-string">"red"</tt><tt class="py-op">,</tt> </tt>
<a name="L62"></a><tt class="py-lineno"> 62</tt>  <tt class="py-line">                       <tt class="py-string">"green"</tt><tt class="py-op">,</tt> </tt>
<a name="L63"></a><tt class="py-lineno"> 63</tt>  <tt class="py-line">                       <tt class="py-string">"blue"</tt><tt class="py-op">]</tt><tt class="py-op">)</tt> </tt>
<a name="L64"></a><tt class="py-lineno"> 64</tt>  <tt class="py-line"> </tt>
<a name="L65"></a><tt class="py-lineno"> 65</tt>  <tt class="py-line"> </tt>
<a name="AtomtypesRecord.__init__"></a><div id="AtomtypesRecord.__init__-def"><a name="L66"></a><tt class="py-lineno"> 66</tt> <a class="py-toggle" href="#" id="AtomtypesRecord.__init__-toggle" onclick="return toggle('AtomtypesRecord.__init__');">-</a><tt class="py-line">    <tt class="py-keyword">def</tt> <a class="py-def-name" href="p4vasp.cStructure.AtomtypesRecord-class.html#__init__">__init__</a><tt class="py-op">(</tt><tt class="py-param">self</tt><tt class="py-op">,</tt><tt class="py-param">init</tt><tt class="py-op">=</tt><tt class="py-name">None</tt><tt class="py-op">,</tt><tt class="py-param">pointer</tt><tt class="py-op">=</tt><tt class="py-name">None</tt><tt class="py-op">)</tt><tt class="py-op">:</tt> </tt>
</div><div id="AtomtypesRecord.__init__-collapsed" style="display:none;" pad="+++" indent="++++++++"></div><div id="AtomtypesRecord.__init__-expanded"><a name="L67"></a><tt class="py-lineno"> 67</tt>  <tt class="py-line">        <tt class="py-keyword">if</tt> <tt class="py-name">isinstance</tt><tt class="py-op">(</tt><tt id="link-15" class="py-name" targets="Method p4vasp.db.P4VMixin.init()=p4vasp.db.P4VMixin-class.html#init,Method p4vasp.db.UserManagementMixin.init()=p4vasp.db.UserManagementMixin-class.html#init"><a title="p4vasp.db.P4VMixin.init
p4vasp.db.UserManagementMixin.init" class="py-name" href="#" onclick="return doclink('link-15', 'init', 'link-15');">init</a></tt><tt class="py-op">,</tt><tt id="link-16" class="py-name"><a title="p4vasp" class="py-name" href="#" onclick="return doclink('link-16', 'p4vasp', 'link-0');">p4vasp</a></tt><tt class="py-op">.</tt><tt id="link-17" class="py-name"><a title="p4vasp.Structure
p4vasp.Structure.Structure
p4vasp.cStructure.Structure" class="py-name" href="#" onclick="return doclink('link-17', 'Structure', 'link-3');">Structure</a></tt><tt class="py-op">.</tt><tt id="link-18" class="py-name" targets="Class p4vasp.Structure.AtomtypesRecord=p4vasp.Structure.AtomtypesRecord-class.html,Class p4vasp.cStructure.AtomtypesRecord=p4vasp.cStructure.AtomtypesRecord-class.html"><a title="p4vasp.Structure.AtomtypesRecord
p4vasp.cStructure.AtomtypesRecord" class="py-name" href="#" onclick="return doclink('link-18', 'AtomtypesRecord', 'link-18');">AtomtypesRecord</a></tt><tt class="py-op">)</tt><tt class="py-op">:</tt> </tt>
<a name="L68"></a><tt class="py-lineno"> 68</tt>  <tt class="py-line">            <tt class="py-name">self</tt><tt class="py-op">.</tt><tt class="py-name">this</tt> <tt class="py-op">=</tt> <tt id="link-19" class="py-name" targets="Function p4vasp.cStructure.extractPointer()=p4vasp.cStructure-module.html#extractPointer"><a title="p4vasp.cStructure.extractPointer" class="py-name" href="#" onclick="return doclink('link-19', 'extractPointer', 'link-19');">extractPointer</a></tt><tt class="py-op">(</tt><tt class="py-name">_cp4vasp</tt><tt class="py-op">.</tt><tt class="py-name">new_AtomtypesRecord</tt><tt class="py-op">(</tt><tt class="py-op">)</tt><tt class="py-op">)</tt> </tt>
<a name="L69"></a><tt class="py-lineno"> 69</tt>  <tt class="py-line">            <tt class="py-name">self</tt><tt class="py-op">.</tt><tt class="py-name">thisown</tt><tt class="py-op">=</tt><tt class="py-number">1</tt> </tt>
<a name="L70"></a><tt class="py-lineno"> 70</tt>  <tt class="py-line">            <tt class="py-name">self</tt><tt class="py-op">.</tt><tt id="link-20" class="py-name" targets="Method p4vasp.Structure.AtomtypesRecord.setAtomtypesRecord()=p4vasp.Structure.AtomtypesRecord-class.html#setAtomtypesRecord,Method p4vasp.cStructure.AtomtypesRecord.setAtomtypesRecord()=p4vasp.cStructure.AtomtypesRecord-class.html#setAtomtypesRecord"><a title="p4vasp.Structure.AtomtypesRecord.setAtomtypesRecord
p4vasp.cStructure.AtomtypesRecord.setAtomtypesRecord" class="py-name" href="#" onclick="return doclink('link-20', 'setAtomtypesRecord', 'link-20');">setAtomtypesRecord</a></tt><tt class="py-op">(</tt><tt id="link-21" class="py-name"><a title="p4vasp.db.P4VMixin.init
p4vasp.db.UserManagementMixin.init" class="py-name" href="#" onclick="return doclink('link-21', 'init', 'link-15');">init</a></tt><tt class="py-op">)</tt> </tt>
<a name="L71"></a><tt class="py-lineno"> 71</tt>  <tt class="py-line">        <tt class="py-keyword">elif</tt> <tt class="py-name">pointer</tt><tt class="py-op">:</tt> </tt>
<a name="L72"></a><tt class="py-lineno"> 72</tt>  <tt class="py-line">            <tt class="py-name">self</tt><tt class="py-op">.</tt><tt class="py-name">this</tt><tt class="py-op">=</tt><tt class="py-name">pointer</tt> </tt>
<a name="L73"></a><tt class="py-lineno"> 73</tt>  <tt class="py-line">            <tt class="py-name">self</tt><tt class="py-op">.</tt><tt class="py-name">thisown</tt><tt class="py-op">=</tt><tt class="py-number">0</tt> </tt>
<a name="L74"></a><tt class="py-lineno"> 74</tt>  <tt class="py-line">        <tt class="py-keyword">else</tt><tt class="py-op">:</tt> </tt>
<a name="L75"></a><tt class="py-lineno"> 75</tt>  <tt class="py-line">            <tt class="py-name">self</tt><tt class="py-op">.</tt><tt class="py-name">this</tt> <tt class="py-op">=</tt> <tt id="link-22" class="py-name"><a title="p4vasp.cStructure.extractPointer" class="py-name" href="#" onclick="return doclink('link-22', 'extractPointer', 'link-19');">extractPointer</a></tt><tt class="py-op">(</tt><tt class="py-name">_cp4vasp</tt><tt class="py-op">.</tt><tt class="py-name">new_AtomtypesRecord</tt><tt class="py-op">(</tt><tt class="py-op">)</tt><tt class="py-op">)</tt> </tt>
<a name="L76"></a><tt class="py-lineno"> 76</tt>  <tt class="py-line">            <tt class="py-name">self</tt><tt class="py-op">.</tt><tt class="py-name">thisown</tt> <tt class="py-op">=</tt> <tt class="py-number">1</tt> </tt>
</div><a name="L77"></a><tt class="py-lineno"> 77</tt>  <tt class="py-line"> </tt>
<a name="AtomtypesRecord.getFields"></a><div id="AtomtypesRecord.getFields-def"><a name="L78"></a><tt class="py-lineno"> 78</tt> <a class="py-toggle" href="#" id="AtomtypesRecord.getFields-toggle" onclick="return toggle('AtomtypesRecord.getFields');">-</a><tt class="py-line">    <tt class="py-keyword">def</tt> <a class="py-def-name" href="p4vasp.cStructure.AtomtypesRecord-class.html#getFields">getFields</a><tt class="py-op">(</tt><tt class="py-param">self</tt><tt class="py-op">)</tt><tt class="py-op">:</tt> </tt>
</div><div id="AtomtypesRecord.getFields-collapsed" style="display:none;" pad="+++" indent="++++++++"></div><div id="AtomtypesRecord.getFields-expanded"><a name="L79"></a><tt class="py-lineno"> 79</tt>  <tt class="py-line">        <tt class="py-docstring">"Return the list of supported fields."</tt> </tt>
<a name="L80"></a><tt class="py-lineno"> 80</tt>  <tt class="py-line">        <tt class="py-keyword">return</tt> <tt class="py-name">self</tt><tt class="py-op">.</tt><tt id="link-23" class="py-name"><a title="p4vasp.cStructure.AtomtypesRecord._keys_" class="py-name" href="#" onclick="return doclink('link-23', '_keys_', 'link-14');">_keys_</a></tt> </tt>
</div><a name="L81"></a><tt class="py-lineno"> 81</tt>  <tt class="py-line"> </tt>
<a name="AtomtypesRecord.clone"></a><div id="AtomtypesRecord.clone-def"><a name="L82"></a><tt class="py-lineno"> 82</tt> <a class="py-toggle" href="#" id="AtomtypesRecord.clone-toggle" onclick="return toggle('AtomtypesRecord.clone');">-</a><tt class="py-line">    <tt class="py-keyword">def</tt> <a class="py-def-name" href="p4vasp.cStructure.AtomtypesRecord-class.html#clone">clone</a><tt class="py-op">(</tt><tt class="py-param">self</tt><tt class="py-op">)</tt><tt class="py-op">:</tt> </tt>
</div><div id="AtomtypesRecord.clone-collapsed" style="display:none;" pad="+++" indent="++++++++"></div><div id="AtomtypesRecord.clone-expanded"><a name="L83"></a><tt class="py-lineno"> 83</tt>  <tt class="py-line">        <tt class="py-docstring">"Returns a copy of *self* ."</tt> </tt>
<a name="L84"></a><tt class="py-lineno"> 84</tt>  <tt class="py-line">        <tt class="py-name">val</tt><tt class="py-op">=</tt><tt id="link-24" class="py-name"><a title="p4vasp.Structure.AtomtypesRecord
p4vasp.cStructure.AtomtypesRecord" class="py-name" href="#" onclick="return doclink('link-24', 'AtomtypesRecord', 'link-18');">AtomtypesRecord</a></tt><tt class="py-op">(</tt><tt class="py-name">pointer</tt><tt class="py-op">=</tt><tt class="py-name">_cp4vasp</tt><tt class="py-op">.</tt><tt class="py-name">AtomtypesRecord_clone</tt><tt class="py-op">(</tt><tt class="py-name">self</tt><tt class="py-op">.</tt><tt class="py-name">this</tt><tt class="py-op">)</tt><tt class="py-op">)</tt> </tt>
<a name="L85"></a><tt class="py-lineno"> 85</tt>  <tt class="py-line">        <tt class="py-name">val</tt><tt class="py-op">.</tt><tt class="py-name">thisown</tt><tt class="py-op">=</tt><tt class="py-number">1</tt> </tt>
<a name="L86"></a><tt class="py-lineno"> 86</tt>  <tt class="py-line">        <tt class="py-keyword">return</tt> <tt class="py-name">val</tt> </tt>
</div><a name="L87"></a><tt class="py-lineno"> 87</tt>  <tt class="py-line"> </tt>
<a name="L88"></a><tt class="py-lineno"> 88</tt>  <tt class="py-line">    <tt id="link-25" class="py-name" targets="Variable p4vasp.cStructure.AtomtypesRecord.__setmethods__=p4vasp.cStructure.AtomtypesRecord-class.html#__setmethods__,Variable p4vasp.cStructure.Structure.__setmethods__=p4vasp.cStructure.Structure-class.html#__setmethods__"><a title="p4vasp.cStructure.AtomtypesRecord.__setmethods__
p4vasp.cStructure.Structure.__setmethods__" class="py-name" href="#" onclick="return doclink('link-25', '__setmethods__', 'link-25');">__setmethods__</a></tt> <tt class="py-op">=</tt> <tt class="py-op">{</tt><tt class="py-op">}</tt> </tt>
<a name="L89"></a><tt class="py-lineno"> 89</tt>  <tt class="py-line">    <tt class="py-keyword">for</tt> <tt class="py-name">_s</tt> <tt class="py-keyword">in</tt> <tt class="py-op">[</tt><tt class="py-op">]</tt><tt class="py-op">:</tt> <tt id="link-26" class="py-name"><a title="p4vasp.cStructure.AtomtypesRecord.__setmethods__
p4vasp.cStructure.Structure.__setmethods__" class="py-name" href="#" onclick="return doclink('link-26', '__setmethods__', 'link-25');">__setmethods__</a></tt><tt class="py-op">.</tt><tt id="link-27" class="py-name" targets="Method p4vasp.Dictionary.StructuredDictionary.update()=p4vasp.Dictionary.StructuredDictionary-class.html#update,Method p4vasp.applet.Applet.GraphApplet.update()=p4vasp.applet.Applet.GraphApplet-class.html#update,Method p4vasp.applet.ElectronicApplet.ElectronicApplet.update()=p4vasp.applet.ElectronicApplet.ElectronicApplet-class.html#update,Method p4vasp.applet.GraphWindowApplet.GraphWindowApplet.update()=p4vasp.applet.GraphWindowApplet.GraphWindowApplet-class.html#update"><a title="p4vasp.Dictionary.StructuredDictionary.update
p4vasp.applet.Applet.GraphApplet.update
p4vasp.applet.ElectronicApplet.ElectronicApplet.update
p4vasp.applet.GraphWindowApplet.GraphWindowApplet.update" class="py-name" href="#" onclick="return doclink('link-27', 'update', 'link-27');">update</a></tt><tt class="py-op">(</tt><tt class="py-name">_s</tt><tt class="py-op">.</tt><tt id="link-28" class="py-name"><a title="p4vasp.cStructure.AtomtypesRecord.__setmethods__
p4vasp.cStructure.Structure.__setmethods__" class="py-name" href="#" onclick="return doclink('link-28', '__setmethods__', 'link-25');">__setmethods__</a></tt><tt class="py-op">)</tt> </tt>
<a name="L90"></a><tt class="py-lineno"> 90</tt>  <tt class="py-line">    <tt id="link-29" class="py-name"><a title="p4vasp.cStructure.AtomtypesRecord.__setmethods__
p4vasp.cStructure.Structure.__setmethods__" class="py-name" href="#" onclick="return doclink('link-29', '__setmethods__', 'link-25');">__setmethods__</a></tt><tt class="py-op">.</tt><tt id="link-30" class="py-name"><a title="p4vasp.Dictionary.StructuredDictionary.update
p4vasp.applet.Applet.GraphApplet.update
p4vasp.applet.ElectronicApplet.ElectronicApplet.update
p4vasp.applet.GraphWindowApplet.GraphWindowApplet.update" class="py-name" href="#" onclick="return doclink('link-30', 'update', 'link-27');">update</a></tt><tt class="py-op">(</tt><tt class="py-op">{</tt> </tt>
<a name="L91"></a><tt class="py-lineno"> 91</tt>  <tt class="py-line">        <tt class="py-string">"hash"</tt>            <tt class="py-op">:</tt> <tt class="py-name">_cp4vasp</tt><tt class="py-op">.</tt><tt class="py-name">AtomtypesRecord_hash_set</tt><tt class="py-op">,</tt> </tt>
<a name="L92"></a><tt class="py-lineno"> 92</tt>  <tt class="py-line">        <tt class="py-string">"atomspertype"</tt>    <tt class="py-op">:</tt> <tt class="py-name">_cp4vasp</tt><tt class="py-op">.</tt><tt class="py-name">AtomtypesRecord_atomspertype_set</tt><tt class="py-op">,</tt> </tt>
<a name="L93"></a><tt class="py-lineno"> 93</tt>  <tt class="py-line">        <tt class="py-string">"mass"</tt>            <tt class="py-op">:</tt> <tt class="py-name">_cp4vasp</tt><tt class="py-op">.</tt><tt class="py-name">AtomtypesRecord_mass_set</tt><tt class="py-op">,</tt> </tt>
<a name="L94"></a><tt class="py-lineno"> 94</tt>  <tt class="py-line">        <tt class="py-string">"valence"</tt>         <tt class="py-op">:</tt> <tt class="py-name">_cp4vasp</tt><tt class="py-op">.</tt><tt class="py-name">AtomtypesRecord_valence_set</tt><tt class="py-op">,</tt> </tt>
<a name="L95"></a><tt class="py-lineno"> 95</tt>  <tt class="py-line">        <tt class="py-string">"radius"</tt>          <tt class="py-op">:</tt> <tt class="py-name">_cp4vasp</tt><tt class="py-op">.</tt><tt class="py-name">AtomtypesRecord_radius_set</tt><tt class="py-op">,</tt> </tt>
<a name="L96"></a><tt class="py-lineno"> 96</tt>  <tt class="py-line">        <tt class="py-string">"covalent"</tt>        <tt class="py-op">:</tt> <tt class="py-name">_cp4vasp</tt><tt class="py-op">.</tt><tt class="py-name">AtomtypesRecord_covalent_set</tt><tt class="py-op">,</tt> </tt>
<a name="L97"></a><tt class="py-lineno"> 97</tt>  <tt class="py-line">        <tt class="py-string">"n"</tt>               <tt class="py-op">:</tt> <tt class="py-name">_cp4vasp</tt><tt class="py-op">.</tt><tt class="py-name">AtomtypesRecord_n_set</tt><tt class="py-op">,</tt> </tt>
<a name="L98"></a><tt class="py-lineno"> 98</tt>  <tt class="py-line">        <tt class="py-string">"red"</tt>             <tt class="py-op">:</tt> <tt class="py-name">_cp4vasp</tt><tt class="py-op">.</tt><tt class="py-name">AtomtypesRecord_red_set</tt><tt class="py-op">,</tt> </tt>
<a name="L99"></a><tt class="py-lineno"> 99</tt>  <tt class="py-line">        <tt class="py-string">"green"</tt>           <tt class="py-op">:</tt> <tt class="py-name">_cp4vasp</tt><tt class="py-op">.</tt><tt class="py-name">AtomtypesRecord_green_set</tt><tt class="py-op">,</tt> </tt>
<a name="L100"></a><tt class="py-lineno">100</tt>  <tt class="py-line">        <tt class="py-string">"blue"</tt>            <tt class="py-op">:</tt> <tt class="py-name">_cp4vasp</tt><tt class="py-op">.</tt><tt class="py-name">AtomtypesRecord_blue_set</tt><tt class="py-op">,</tt> </tt>
<a name="L101"></a><tt class="py-lineno">101</tt>  <tt class="py-line">        <tt class="py-string">"element"</tt>         <tt class="py-op">:</tt> <tt class="py-name">_cp4vasp</tt><tt class="py-op">.</tt><tt class="py-name">AtomtypesRecord_setElement</tt><tt class="py-op">,</tt> </tt>
<a name="L102"></a><tt class="py-lineno">102</tt>  <tt class="py-line">        <tt class="py-string">"hidden"</tt>          <tt class="py-op">:</tt> <tt class="py-name">_cp4vasp</tt><tt class="py-op">.</tt><tt class="py-name">AtomtypesRecord_hidden_set</tt><tt class="py-op">,</tt> </tt>
<a name="L103"></a><tt class="py-lineno">103</tt>  <tt class="py-line">        <tt class="py-string">"selected"</tt>        <tt class="py-op">:</tt> <tt class="py-name">_cp4vasp</tt><tt class="py-op">.</tt><tt class="py-name">AtomtypesRecord_selected_set</tt><tt class="py-op">,</tt> </tt>
<a name="L104"></a><tt class="py-lineno">104</tt>  <tt class="py-line">        <tt class="py-string">"pp_type"</tt>         <tt class="py-op">:</tt> <tt class="py-name">_cp4vasp</tt><tt class="py-op">.</tt><tt class="py-name">AtomtypesRecord_setPPType</tt><tt class="py-op">,</tt> </tt>
<a name="L105"></a><tt class="py-lineno">105</tt>  <tt class="py-line">        <tt class="py-string">"pp_specie"</tt>       <tt class="py-op">:</tt> <tt class="py-name">_cp4vasp</tt><tt class="py-op">.</tt><tt class="py-name">AtomtypesRecord_setPPSpecie</tt><tt class="py-op">,</tt> </tt>
<a name="L106"></a><tt class="py-lineno">106</tt>  <tt class="py-line">        <tt class="py-string">"pp_version"</tt>      <tt class="py-op">:</tt> <tt class="py-name">_cp4vasp</tt><tt class="py-op">.</tt><tt class="py-name">AtomtypesRecord_setPPVersion</tt><tt class="py-op">,</tt> </tt>
<a name="L107"></a><tt class="py-lineno">107</tt>  <tt class="py-line">        <tt class="py-string">"pseudopotential"</tt> <tt class="py-op">:</tt> <tt class="py-name">_cp4vasp</tt><tt class="py-op">.</tt><tt class="py-name">AtomtypesRecord_setPseudopotential</tt> </tt>
<a name="L108"></a><tt class="py-lineno">108</tt>  <tt class="py-line">    <tt class="py-op">}</tt><tt class="py-op">)</tt> </tt>
<a name="L109"></a><tt class="py-lineno">109</tt>  <tt class="py-line"> </tt>
<a name="AtomtypesRecord.__setattr__"></a><div id="AtomtypesRecord.__setattr__-def"><a name="L110"></a><tt class="py-lineno">110</tt> <a class="py-toggle" href="#" id="AtomtypesRecord.__setattr__-toggle" onclick="return toggle('AtomtypesRecord.__setattr__');">-</a><tt class="py-line">    <tt class="py-keyword">def</tt> <a class="py-def-name" href="p4vasp.cStructure.AtomtypesRecord-class.html#__setattr__">__setattr__</a><tt class="py-op">(</tt><tt class="py-param">self</tt><tt class="py-op">,</tt><tt class="py-param">name</tt><tt class="py-op">,</tt><tt class="py-param">value</tt><tt class="py-op">)</tt><tt class="py-op">:</tt> </tt>
</div><div id="AtomtypesRecord.__setattr__-collapsed" style="display:none;" pad="+++" indent="++++++++"></div><div id="AtomtypesRecord.__setattr__-expanded"><a name="L111"></a><tt class="py-lineno">111</tt>  <tt class="py-line">        <tt class="py-keyword">if</tt> <tt class="py-op">(</tt><tt id="link-31" class="py-name" targets="Variable p4vasp.applet.Applet.Applet.name=p4vasp.applet.Applet.Applet-class.html#name"><a title="p4vasp.applet.Applet.Applet.name" class="py-name" href="#" onclick="return doclink('link-31', 'name', 'link-31');">name</a></tt> <tt class="py-keyword">in</tt> <tt class="py-op">(</tt><tt class="py-string">"this"</tt><tt class="py-op">,</tt><tt class="py-string">"thisown"</tt><tt class="py-op">,</tt><tt class="py-string">"_keys_"</tt><tt class="py-op">)</tt><tt class="py-op">)</tt><tt class="py-op">:</tt> <tt class="py-name">self</tt><tt class="py-op">.</tt><tt class="py-name">__dict__</tt><tt class="py-op">[</tt><tt id="link-32" class="py-name"><a title="p4vasp.applet.Applet.Applet.name" class="py-name" href="#" onclick="return doclink('link-32', 'name', 'link-31');">name</a></tt><tt class="py-op">]</tt> <tt class="py-op">=</tt> <tt class="py-name">value</tt><tt class="py-op">;</tt> <tt class="py-keyword">return</tt> </tt>
<a name="L112"></a><tt class="py-lineno">112</tt>  <tt class="py-line">        <tt class="py-name">method</tt> <tt class="py-op">=</tt> <tt id="link-33" class="py-name"><a title="p4vasp.Structure.AtomtypesRecord
p4vasp.cStructure.AtomtypesRecord" class="py-name" href="#" onclick="return doclink('link-33', 'AtomtypesRecord', 'link-18');">AtomtypesRecord</a></tt><tt class="py-op">.</tt><tt id="link-34" class="py-name"><a title="p4vasp.cStructure.AtomtypesRecord.__setmethods__
p4vasp.cStructure.Structure.__setmethods__" class="py-name" href="#" onclick="return doclink('link-34', '__setmethods__', 'link-25');">__setmethods__</a></tt><tt class="py-op">.</tt><tt id="link-35" class="py-name" targets="Method p4vasp.ODPdom.AttributeList.get()=p4vasp.ODPdom.AttributeList-class.html#get,Method p4vasp.ODPdom.NamedNodeMap.get()=p4vasp.ODPdom.NamedNodeMap-class.html#get,Method p4vasp.Property.Property.get()=p4vasp.Property.Property-class.html#get,Method p4vasp.cStructure.Structure.get()=p4vasp.cStructure.Structure-class.html#get,Method p4vasp.cmatrix.Matrix.get()=p4vasp.cmatrix.Matrix-class.html#get,Method p4vasp.cmatrix.Vector.get()=p4vasp.cmatrix.Vector-class.html#get,Method p4vasp.db.Query.get()=p4vasp.db.Query-class.html#get,Method p4vasp.matrix.Matrix.get()=p4vasp.matrix.Matrix-class.html#get,Method p4vasp.matrix.Vector.get()=p4vasp.matrix.Vector-class.html#get,Method p4vasp.paint3d.Paint3DInterface.Paint3DRecorder.get()=p4vasp.paint3d.Paint3DInterface.Paint3DRecorder-class.html#get"><a title="p4vasp.ODPdom.AttributeList.get
p4vasp.ODPdom.NamedNodeMap.get
p4vasp.Property.Property.get
p4vasp.cStructure.Structure.get
p4vasp.cmatrix.Matrix.get
p4vasp.cmatrix.Vector.get
p4vasp.db.Query.get
p4vasp.matrix.Matrix.get
p4vasp.matrix.Vector.get
p4vasp.paint3d.Paint3DInterface.Paint3DRecorder.get" class="py-name" href="#" onclick="return doclink('link-35', 'get', 'link-35');">get</a></tt><tt class="py-op">(</tt><tt id="link-36" class="py-name"><a title="p4vasp.applet.Applet.Applet.name" class="py-name" href="#" onclick="return doclink('link-36', 'name', 'link-31');">name</a></tt><tt class="py-op">,</tt><tt class="py-name">None</tt><tt class="py-op">)</tt> </tt>
<a name="L113"></a><tt class="py-lineno">113</tt>  <tt class="py-line">        <tt class="py-keyword">if</tt> <tt class="py-name">method</tt><tt class="py-op">:</tt> <tt class="py-keyword">return</tt> <tt class="py-name">method</tt><tt class="py-op">(</tt><tt class="py-name">self</tt><tt class="py-op">.</tt><tt class="py-name">this</tt><tt class="py-op">,</tt><tt class="py-name">value</tt><tt class="py-op">)</tt> </tt>
<a name="L114"></a><tt class="py-lineno">114</tt>  <tt class="py-line">        <tt class="py-name">self</tt><tt class="py-op">.</tt><tt class="py-name">__dict__</tt><tt class="py-op">[</tt><tt id="link-37" class="py-name"><a title="p4vasp.applet.Applet.Applet.name" class="py-name" href="#" onclick="return doclink('link-37', 'name', 'link-31');">name</a></tt><tt class="py-op">]</tt> <tt class="py-op">=</tt> <tt class="py-name">value</tt> </tt>
</div><a name="L115"></a><tt class="py-lineno">115</tt>  <tt class="py-line"> </tt>
<a name="L116"></a><tt class="py-lineno">116</tt>  <tt class="py-line">    <tt id="link-38" class="py-name" targets="Variable p4vasp.cStructure.AtomInfo.__getmethods__=p4vasp.cStructure.AtomInfo-class.html#__getmethods__,Variable p4vasp.cStructure.AtomtypesRecord.__getmethods__=p4vasp.cStructure.AtomtypesRecord-class.html#__getmethods__,Variable p4vasp.cStructure.Structure.__getmethods__=p4vasp.cStructure.Structure-class.html#__getmethods__"><a title="p4vasp.cStructure.AtomInfo.__getmethods__
p4vasp.cStructure.AtomtypesRecord.__getmethods__
p4vasp.cStructure.Structure.__getmethods__" class="py-name" href="#" onclick="return doclink('link-38', '__getmethods__', 'link-38');">__getmethods__</a></tt> <tt class="py-op">=</tt> <tt class="py-op">{</tt><tt class="py-op">}</tt> </tt>
<a name="L117"></a><tt class="py-lineno">117</tt>  <tt class="py-line">    <tt class="py-keyword">for</tt> <tt class="py-name">_s</tt> <tt class="py-keyword">in</tt> <tt class="py-op">[</tt><tt class="py-op">]</tt><tt class="py-op">:</tt> <tt id="link-39" class="py-name"><a title="p4vasp.cStructure.AtomInfo.__getmethods__
p4vasp.cStructure.AtomtypesRecord.__getmethods__
p4vasp.cStructure.Structure.__getmethods__" class="py-name" href="#" onclick="return doclink('link-39', '__getmethods__', 'link-38');">__getmethods__</a></tt><tt class="py-op">.</tt><tt id="link-40" class="py-name"><a title="p4vasp.Dictionary.StructuredDictionary.update
p4vasp.applet.Applet.GraphApplet.update
p4vasp.applet.ElectronicApplet.ElectronicApplet.update
p4vasp.applet.GraphWindowApplet.GraphWindowApplet.update" class="py-name" href="#" onclick="return doclink('link-40', 'update', 'link-27');">update</a></tt><tt class="py-op">(</tt><tt class="py-name">_s</tt><tt class="py-op">.</tt><tt id="link-41" class="py-name"><a title="p4vasp.cStructure.AtomInfo.__getmethods__
p4vasp.cStructure.AtomtypesRecord.__getmethods__
p4vasp.cStructure.Structure.__getmethods__" class="py-name" href="#" onclick="return doclink('link-41', '__getmethods__', 'link-38');">__getmethods__</a></tt><tt class="py-op">)</tt> </tt>
<a name="L118"></a><tt class="py-lineno">118</tt>  <tt class="py-line">    <tt id="link-42" class="py-name"><a title="p4vasp.cStructure.AtomInfo.__getmethods__
p4vasp.cStructure.AtomtypesRecord.__getmethods__
p4vasp.cStructure.Structure.__getmethods__" class="py-name" href="#" onclick="return doclink('link-42', '__getmethods__', 'link-38');">__getmethods__</a></tt><tt class="py-op">.</tt><tt id="link-43" class="py-name"><a title="p4vasp.Dictionary.StructuredDictionary.update
p4vasp.applet.Applet.GraphApplet.update
p4vasp.applet.ElectronicApplet.ElectronicApplet.update
p4vasp.applet.GraphWindowApplet.GraphWindowApplet.update" class="py-name" href="#" onclick="return doclink('link-43', 'update', 'link-27');">update</a></tt><tt class="py-op">(</tt><tt class="py-op">{</tt> </tt>
<a name="L119"></a><tt class="py-lineno">119</tt>  <tt class="py-line">        <tt class="py-string">"hash"</tt>            <tt class="py-op">:</tt> <tt class="py-name">_cp4vasp</tt><tt class="py-op">.</tt><tt class="py-name">AtomtypesRecord_hash_get</tt><tt class="py-op">,</tt> </tt>
<a name="L120"></a><tt class="py-lineno">120</tt>  <tt class="py-line">        <tt class="py-string">"atomspertype"</tt>    <tt class="py-op">:</tt> <tt class="py-name">_cp4vasp</tt><tt class="py-op">.</tt><tt class="py-name">AtomtypesRecord_atomspertype_get</tt><tt class="py-op">,</tt> </tt>
<a name="L121"></a><tt class="py-lineno">121</tt>  <tt class="py-line">        <tt class="py-string">"mass"</tt>            <tt class="py-op">:</tt> <tt class="py-name">_cp4vasp</tt><tt class="py-op">.</tt><tt class="py-name">AtomtypesRecord_mass_get</tt><tt class="py-op">,</tt> </tt>
<a name="L122"></a><tt class="py-lineno">122</tt>  <tt class="py-line">        <tt class="py-string">"valence"</tt>         <tt class="py-op">:</tt> <tt class="py-name">_cp4vasp</tt><tt class="py-op">.</tt><tt class="py-name">AtomtypesRecord_valence_get</tt><tt class="py-op">,</tt> </tt>
<a name="L123"></a><tt class="py-lineno">123</tt>  <tt class="py-line">        <tt class="py-string">"radius"</tt>          <tt class="py-op">:</tt> <tt class="py-name">_cp4vasp</tt><tt class="py-op">.</tt><tt class="py-name">AtomtypesRecord_radius_get</tt><tt class="py-op">,</tt> </tt>
<a name="L124"></a><tt class="py-lineno">124</tt>  <tt class="py-line">        <tt class="py-string">"covalent"</tt>        <tt class="py-op">:</tt> <tt class="py-name">_cp4vasp</tt><tt class="py-op">.</tt><tt class="py-name">AtomtypesRecord_covalent_get</tt><tt class="py-op">,</tt> </tt>
<a name="L125"></a><tt class="py-lineno">125</tt>  <tt class="py-line">        <tt class="py-string">"n"</tt>               <tt class="py-op">:</tt> <tt class="py-name">_cp4vasp</tt><tt class="py-op">.</tt><tt class="py-name">AtomtypesRecord_n_get</tt><tt class="py-op">,</tt> </tt>
<a name="L126"></a><tt class="py-lineno">126</tt>  <tt class="py-line">        <tt class="py-string">"red"</tt>             <tt class="py-op">:</tt> <tt class="py-name">_cp4vasp</tt><tt class="py-op">.</tt><tt class="py-name">AtomtypesRecord_red_get</tt><tt class="py-op">,</tt> </tt>
<a name="L127"></a><tt class="py-lineno">127</tt>  <tt class="py-line">        <tt class="py-string">"green"</tt>           <tt class="py-op">:</tt> <tt class="py-name">_cp4vasp</tt><tt class="py-op">.</tt><tt class="py-name">AtomtypesRecord_green_get</tt><tt class="py-op">,</tt> </tt>
<a name="L128"></a><tt class="py-lineno">128</tt>  <tt class="py-line">        <tt class="py-string">"blue"</tt>            <tt class="py-op">:</tt> <tt class="py-name">_cp4vasp</tt><tt class="py-op">.</tt><tt class="py-name">AtomtypesRecord_blue_get</tt><tt class="py-op">,</tt> </tt>
<a name="L129"></a><tt class="py-lineno">129</tt>  <tt class="py-line">        <tt class="py-string">"element"</tt>         <tt class="py-op">:</tt> <tt class="py-name">_cp4vasp</tt><tt class="py-op">.</tt><tt class="py-name">AtomtypesRecord_getElement</tt><tt class="py-op">,</tt> </tt>
<a name="L130"></a><tt class="py-lineno">130</tt>  <tt class="py-line">        <tt class="py-string">"hidden"</tt>          <tt class="py-op">:</tt> <tt class="py-name">_cp4vasp</tt><tt class="py-op">.</tt><tt class="py-name">AtomtypesRecord_hidden_get</tt><tt class="py-op">,</tt> </tt>
<a name="L131"></a><tt class="py-lineno">131</tt>  <tt class="py-line">        <tt class="py-string">"selected"</tt>        <tt class="py-op">:</tt> <tt class="py-name">_cp4vasp</tt><tt class="py-op">.</tt><tt class="py-name">AtomtypesRecord_selected_get</tt><tt class="py-op">,</tt> </tt>
<a name="L132"></a><tt class="py-lineno">132</tt>  <tt class="py-line">        <tt class="py-string">"pp_type"</tt>         <tt class="py-op">:</tt> <tt class="py-name">_cp4vasp</tt><tt class="py-op">.</tt><tt class="py-name">AtomtypesRecord_getPPType</tt><tt class="py-op">,</tt> </tt>
<a name="L133"></a><tt class="py-lineno">133</tt>  <tt class="py-line">        <tt class="py-string">"pp_specie"</tt>       <tt class="py-op">:</tt> <tt class="py-name">_cp4vasp</tt><tt class="py-op">.</tt><tt class="py-name">AtomtypesRecord_getPPSpecie</tt><tt class="py-op">,</tt> </tt>
<a name="L134"></a><tt class="py-lineno">134</tt>  <tt class="py-line">        <tt class="py-string">"pp_version"</tt>      <tt class="py-op">:</tt> <tt class="py-name">_cp4vasp</tt><tt class="py-op">.</tt><tt class="py-name">AtomtypesRecord_getPPVersion</tt><tt class="py-op">,</tt> </tt>
<a name="L135"></a><tt class="py-lineno">135</tt>  <tt class="py-line">        <tt class="py-string">"pseudopotential"</tt> <tt class="py-op">:</tt> <tt class="py-name">_cp4vasp</tt><tt class="py-op">.</tt><tt class="py-name">AtomtypesRecord_getPseudopotential</tt> </tt>
<a name="L136"></a><tt class="py-lineno">136</tt>  <tt class="py-line">    <tt class="py-op">}</tt><tt class="py-op">)</tt> </tt>
<a name="L137"></a><tt class="py-lineno">137</tt>  <tt class="py-line"> </tt>
<a name="AtomtypesRecord.__getattr__"></a><div id="AtomtypesRecord.__getattr__-def"><a name="L138"></a><tt class="py-lineno">138</tt> <a class="py-toggle" href="#" id="AtomtypesRecord.__getattr__-toggle" onclick="return toggle('AtomtypesRecord.__getattr__');">-</a><tt class="py-line">    <tt class="py-keyword">def</tt> <a class="py-def-name" href="p4vasp.cStructure.AtomtypesRecord-class.html#__getattr__">__getattr__</a><tt class="py-op">(</tt><tt class="py-param">self</tt><tt class="py-op">,</tt><tt class="py-param">name</tt><tt class="py-op">)</tt><tt class="py-op">:</tt> </tt>
</div><div id="AtomtypesRecord.__getattr__-collapsed" style="display:none;" pad="+++" indent="++++++++"></div><div id="AtomtypesRecord.__getattr__-expanded"><a name="L139"></a><tt class="py-lineno">139</tt>  <tt class="py-line">        <tt class="py-name">method</tt> <tt class="py-op">=</tt> <tt id="link-44" class="py-name"><a title="p4vasp.Structure.AtomtypesRecord
p4vasp.cStructure.AtomtypesRecord" class="py-name" href="#" onclick="return doclink('link-44', 'AtomtypesRecord', 'link-18');">AtomtypesRecord</a></tt><tt class="py-op">.</tt><tt id="link-45" class="py-name"><a title="p4vasp.cStructure.AtomInfo.__getmethods__
p4vasp.cStructure.AtomtypesRecord.__getmethods__
p4vasp.cStructure.Structure.__getmethods__" class="py-name" href="#" onclick="return doclink('link-45', '__getmethods__', 'link-38');">__getmethods__</a></tt><tt class="py-op">.</tt><tt id="link-46" class="py-name"><a title="p4vasp.ODPdom.AttributeList.get
p4vasp.ODPdom.NamedNodeMap.get
p4vasp.Property.Property.get
p4vasp.cStructure.Structure.get
p4vasp.cmatrix.Matrix.get
p4vasp.cmatrix.Vector.get
p4vasp.db.Query.get
p4vasp.matrix.Matrix.get
p4vasp.matrix.Vector.get
p4vasp.paint3d.Paint3DInterface.Paint3DRecorder.get" class="py-name" href="#" onclick="return doclink('link-46', 'get', 'link-35');">get</a></tt><tt class="py-op">(</tt><tt id="link-47" class="py-name"><a title="p4vasp.applet.Applet.Applet.name" class="py-name" href="#" onclick="return doclink('link-47', 'name', 'link-31');">name</a></tt><tt class="py-op">,</tt><tt class="py-name">None</tt><tt class="py-op">)</tt> </tt>
<a name="L140"></a><tt class="py-lineno">140</tt>  <tt class="py-line">        <tt class="py-keyword">if</tt> <tt class="py-name">method</tt><tt class="py-op">:</tt> <tt class="py-keyword">return</tt> <tt class="py-name">method</tt><tt class="py-op">(</tt><tt class="py-name">self</tt><tt class="py-op">.</tt><tt class="py-name">this</tt><tt class="py-op">)</tt> </tt>
<a name="L141"></a><tt class="py-lineno">141</tt>  <tt class="py-line">        <tt class="py-keyword">raise</tt> <tt class="py-name">AttributeError</tt><tt class="py-op">,</tt><tt id="link-48" class="py-name"><a title="p4vasp.applet.Applet.Applet.name" class="py-name" href="#" onclick="return doclink('link-48', 'name', 'link-31');">name</a></tt> </tt>
</div><a name="L142"></a><tt class="py-lineno">142</tt>  <tt class="py-line"> </tt>
<a name="AtomtypesRecord.__len__"></a><div id="AtomtypesRecord.__len__-def"><a name="L143"></a><tt class="py-lineno">143</tt> <a class="py-toggle" href="#" id="AtomtypesRecord.__len__-toggle" onclick="return toggle('AtomtypesRecord.__len__');">-</a><tt class="py-line">    <tt class="py-keyword">def</tt> <a class="py-def-name" href="p4vasp.cStructure.AtomtypesRecord-class.html#__len__">__len__</a><tt class="py-op">(</tt><tt class="py-param">self</tt><tt class="py-op">)</tt><tt class="py-op">:</tt><tt class="py-keyword">return</tt> <tt id="link-49" class="py-name" targets="Method p4vasp.cStructure.Structure.len()=p4vasp.cStructure.Structure-class.html#len"><a title="p4vasp.cStructure.Structure.len" class="py-name" href="#" onclick="return doclink('link-49', 'len', 'link-49');">len</a></tt><tt class="py-op">(</tt><tt class="py-name">self</tt><tt class="py-op">.</tt><tt id="link-50" class="py-name"><a title="p4vasp.cStructure.AtomtypesRecord._keys_" class="py-name" href="#" onclick="return doclink('link-50', '_keys_', 'link-14');">_keys_</a></tt><tt class="py-op">)</tt> </tt>
</div><a name="L144"></a><tt class="py-lineno">144</tt>  <tt class="py-line"> </tt>
<a name="AtomtypesRecord.__getitem__"></a><div id="AtomtypesRecord.__getitem__-def"><a name="L145"></a><tt class="py-lineno">145</tt> <a class="py-toggle" href="#" id="AtomtypesRecord.__getitem__-toggle" onclick="return toggle('AtomtypesRecord.__getitem__');">-</a><tt class="py-line">    <tt class="py-keyword">def</tt> <a class="py-def-name" href="p4vasp.cStructure.AtomtypesRecord-class.html#__getitem__">__getitem__</a><tt class="py-op">(</tt><tt class="py-param">self</tt><tt class="py-op">,</tt><tt class="py-param">i</tt><tt class="py-op">)</tt><tt class="py-op">:</tt> </tt>
</div><div id="AtomtypesRecord.__getitem__-collapsed" style="display:none;" pad="+++" indent="++++++++"></div><div id="AtomtypesRecord.__getitem__-expanded"><a name="L146"></a><tt class="py-lineno">146</tt>  <tt class="py-line">        <tt class="py-keyword">if</tt> <tt class="py-op">(</tt><tt class="py-name">type</tt><tt class="py-op">(</tt><tt id="link-51" class="py-name" targets="Variable p4vasp.paint3d.OpenGLPaint3D.i=p4vasp.paint3d.OpenGLPaint3D-module.html#i"><a title="p4vasp.paint3d.OpenGLPaint3D.i" class="py-name" href="#" onclick="return doclink('link-51', 'i', 'link-51');">i</a></tt><tt class="py-op">)</tt> <tt class="py-keyword">is</tt> <tt class="py-name">IntType</tt><tt class="py-op">)</tt><tt class="py-op">:</tt> </tt>
<a name="L147"></a><tt class="py-lineno">147</tt>  <tt class="py-line">            <tt id="link-52" class="py-name"><a title="p4vasp.paint3d.OpenGLPaint3D.i" class="py-name" href="#" onclick="return doclink('link-52', 'i', 'link-51');">i</a></tt><tt class="py-op">=</tt><tt class="py-name">self</tt><tt class="py-op">.</tt><tt id="link-53" class="py-name"><a title="p4vasp.cStructure.AtomtypesRecord._keys_" class="py-name" href="#" onclick="return doclink('link-53', '_keys_', 'link-14');">_keys_</a></tt><tt class="py-op">[</tt><tt id="link-54" class="py-name"><a title="p4vasp.paint3d.OpenGLPaint3D.i" class="py-name" href="#" onclick="return doclink('link-54', 'i', 'link-51');">i</a></tt><tt class="py-op">]</tt> </tt>
<a name="L148"></a><tt class="py-lineno">148</tt>  <tt class="py-line">        <tt class="py-name">method</tt> <tt class="py-op">=</tt> <tt id="link-55" class="py-name"><a title="p4vasp.Structure.AtomtypesRecord
p4vasp.cStructure.AtomtypesRecord" class="py-name" href="#" onclick="return doclink('link-55', 'AtomtypesRecord', 'link-18');">AtomtypesRecord</a></tt><tt class="py-op">.</tt><tt id="link-56" class="py-name"><a title="p4vasp.cStructure.AtomInfo.__getmethods__
p4vasp.cStructure.AtomtypesRecord.__getmethods__
p4vasp.cStructure.Structure.__getmethods__" class="py-name" href="#" onclick="return doclink('link-56', '__getmethods__', 'link-38');">__getmethods__</a></tt><tt class="py-op">.</tt><tt id="link-57" class="py-name"><a title="p4vasp.ODPdom.AttributeList.get
p4vasp.ODPdom.NamedNodeMap.get
p4vasp.Property.Property.get
p4vasp.cStructure.Structure.get
p4vasp.cmatrix.Matrix.get
p4vasp.cmatrix.Vector.get
p4vasp.db.Query.get
p4vasp.matrix.Matrix.get
p4vasp.matrix.Vector.get
p4vasp.paint3d.Paint3DInterface.Paint3DRecorder.get" class="py-name" href="#" onclick="return doclink('link-57', 'get', 'link-35');">get</a></tt><tt class="py-op">(</tt><tt id="link-58" class="py-name"><a title="p4vasp.paint3d.OpenGLPaint3D.i" class="py-name" href="#" onclick="return doclink('link-58', 'i', 'link-51');">i</a></tt><tt class="py-op">,</tt><tt class="py-name">None</tt><tt class="py-op">)</tt> </tt>
<a name="L149"></a><tt class="py-lineno">149</tt>  <tt class="py-line">        <tt class="py-keyword">if</tt> <tt class="py-name">method</tt><tt class="py-op">:</tt> <tt class="py-keyword">return</tt> <tt class="py-name">method</tt><tt class="py-op">(</tt><tt class="py-name">self</tt><tt class="py-op">.</tt><tt class="py-name">this</tt><tt class="py-op">)</tt> </tt>
<a name="L150"></a><tt class="py-lineno">150</tt>  <tt class="py-line">        <tt class="py-keyword">raise</tt> <tt class="py-name">IndexError</tt><tt class="py-op">,</tt><tt id="link-59" class="py-name"><a title="p4vasp.paint3d.OpenGLPaint3D.i" class="py-name" href="#" onclick="return doclink('link-59', 'i', 'link-51');">i</a></tt> </tt>
</div><a name="L151"></a><tt class="py-lineno">151</tt>  <tt class="py-line"> </tt>
<a name="AtomtypesRecord.__setitem__"></a><div id="AtomtypesRecord.__setitem__-def"><a name="L152"></a><tt class="py-lineno">152</tt> <a class="py-toggle" href="#" id="AtomtypesRecord.__setitem__-toggle" onclick="return toggle('AtomtypesRecord.__setitem__');">-</a><tt class="py-line">    <tt class="py-keyword">def</tt> <a class="py-def-name" href="p4vasp.cStructure.AtomtypesRecord-class.html#__setitem__">__setitem__</a><tt class="py-op">(</tt><tt class="py-param">self</tt><tt class="py-op">,</tt><tt class="py-param">i</tt><tt class="py-op">,</tt><tt class="py-param">value</tt><tt class="py-op">)</tt><tt class="py-op">:</tt> </tt>
</div><div id="AtomtypesRecord.__setitem__-collapsed" style="display:none;" pad="+++" indent="++++++++"></div><div id="AtomtypesRecord.__setitem__-expanded"><a name="L153"></a><tt class="py-lineno">153</tt>  <tt class="py-line">        <tt class="py-keyword">if</tt> <tt class="py-op">(</tt><tt class="py-name">type</tt><tt class="py-op">(</tt><tt id="link-60" class="py-name"><a title="p4vasp.paint3d.OpenGLPaint3D.i" class="py-name" href="#" onclick="return doclink('link-60', 'i', 'link-51');">i</a></tt><tt class="py-op">)</tt> <tt class="py-keyword">is</tt> <tt class="py-name">IntType</tt><tt class="py-op">)</tt><tt class="py-op">:</tt> </tt>
<a name="L154"></a><tt class="py-lineno">154</tt>  <tt class="py-line">            <tt id="link-61" class="py-name"><a title="p4vasp.paint3d.OpenGLPaint3D.i" class="py-name" href="#" onclick="return doclink('link-61', 'i', 'link-51');">i</a></tt><tt class="py-op">=</tt><tt class="py-name">self</tt><tt class="py-op">.</tt><tt id="link-62" class="py-name"><a title="p4vasp.cStructure.AtomtypesRecord._keys_" class="py-name" href="#" onclick="return doclink('link-62', '_keys_', 'link-14');">_keys_</a></tt><tt class="py-op">[</tt><tt id="link-63" class="py-name"><a title="p4vasp.paint3d.OpenGLPaint3D.i" class="py-name" href="#" onclick="return doclink('link-63', 'i', 'link-51');">i</a></tt><tt class="py-op">]</tt> </tt>
<a name="L155"></a><tt class="py-lineno">155</tt>  <tt class="py-line">        <tt class="py-name">method</tt> <tt class="py-op">=</tt> <tt id="link-64" class="py-name"><a title="p4vasp.Structure.AtomtypesRecord
p4vasp.cStructure.AtomtypesRecord" class="py-name" href="#" onclick="return doclink('link-64', 'AtomtypesRecord', 'link-18');">AtomtypesRecord</a></tt><tt class="py-op">.</tt><tt id="link-65" class="py-name"><a title="p4vasp.cStructure.AtomtypesRecord.__setmethods__
p4vasp.cStructure.Structure.__setmethods__" class="py-name" href="#" onclick="return doclink('link-65', '__setmethods__', 'link-25');">__setmethods__</a></tt><tt class="py-op">.</tt><tt id="link-66" class="py-name"><a title="p4vasp.ODPdom.AttributeList.get
p4vasp.ODPdom.NamedNodeMap.get
p4vasp.Property.Property.get
p4vasp.cStructure.Structure.get
p4vasp.cmatrix.Matrix.get
p4vasp.cmatrix.Vector.get
p4vasp.db.Query.get
p4vasp.matrix.Matrix.get
p4vasp.matrix.Vector.get
p4vasp.paint3d.Paint3DInterface.Paint3DRecorder.get" class="py-name" href="#" onclick="return doclink('link-66', 'get', 'link-35');">get</a></tt><tt class="py-op">(</tt><tt id="link-67" class="py-name"><a title="p4vasp.paint3d.OpenGLPaint3D.i" class="py-name" href="#" onclick="return doclink('link-67', 'i', 'link-51');">i</a></tt><tt class="py-op">,</tt><tt class="py-name">None</tt><tt class="py-op">)</tt> </tt>
<a name="L156"></a><tt class="py-lineno">156</tt>  <tt class="py-line">        <tt class="py-keyword">if</tt> <tt class="py-name">method</tt><tt class="py-op">:</tt> <tt class="py-keyword">return</tt> <tt class="py-name">method</tt><tt class="py-op">(</tt><tt class="py-name">self</tt><tt class="py-op">.</tt><tt class="py-name">this</tt><tt class="py-op">,</tt><tt class="py-name">value</tt><tt class="py-op">)</tt> </tt>
<a name="L157"></a><tt class="py-lineno">157</tt>  <tt class="py-line">        <tt class="py-keyword">raise</tt> <tt class="py-name">AttributeError</tt><tt class="py-op">,</tt><tt id="link-68" class="py-name"><a title="p4vasp.applet.Applet.Applet.name" class="py-name" href="#" onclick="return doclink('link-68', 'name', 'link-31');">name</a></tt> </tt>
</div><a name="L158"></a><tt class="py-lineno">158</tt>  <tt class="py-line"> </tt>
<a name="AtomtypesRecord.__str__"></a><div id="AtomtypesRecord.__str__-def"><a name="L159"></a><tt class="py-lineno">159</tt> <a class="py-toggle" href="#" id="AtomtypesRecord.__str__-toggle" onclick="return toggle('AtomtypesRecord.__str__');">-</a><tt class="py-line">    <tt class="py-keyword">def</tt> <a class="py-def-name" href="p4vasp.cStructure.AtomtypesRecord-class.html#__str__">__str__</a><tt class="py-op">(</tt><tt class="py-param">self</tt><tt class="py-op">)</tt><tt class="py-op">:</tt> </tt>
</div><div id="AtomtypesRecord.__str__-collapsed" style="display:none;" pad="+++" indent="++++++++"></div><div id="AtomtypesRecord.__str__-expanded"><a name="L160"></a><tt class="py-lineno">160</tt>  <tt class="py-line">        <tt class="py-name">s</tt><tt class="py-op">=</tt><tt class="py-string">"cAtomtypesRecord{\n"</tt> </tt>
<a name="L161"></a><tt class="py-lineno">161</tt>  <tt class="py-line">        <tt class="py-keyword">for</tt> <tt class="py-name">x</tt> <tt class="py-keyword">in</tt> <tt class="py-name">self</tt><tt class="py-op">.</tt><tt id="link-69" class="py-name" targets="Method p4vasp.Array.ArrayRecord.getFields()=p4vasp.Array.ArrayRecord-class.html#getFields,Method p4vasp.cStructure.AtomtypesRecord.getFields()=p4vasp.cStructure.AtomtypesRecord-class.html#getFields"><a title="p4vasp.Array.ArrayRecord.getFields
p4vasp.cStructure.AtomtypesRecord.getFields" class="py-name" href="#" onclick="return doclink('link-69', 'getFields', 'link-69');">getFields</a></tt><tt class="py-op">(</tt><tt class="py-op">)</tt><tt class="py-op">:</tt> </tt>
<a name="L162"></a><tt class="py-lineno">162</tt>  <tt class="py-line">            <tt class="py-name">s</tt><tt class="py-op">+=</tt><tt class="py-string">"  %-10s = %s\n"</tt><tt class="py-op">%</tt><tt class="py-op">(</tt><tt class="py-name">x</tt><tt class="py-op">,</tt><tt class="py-name">str</tt><tt class="py-op">(</tt><tt class="py-name">self</tt><tt class="py-op">[</tt><tt class="py-name">x</tt><tt class="py-op">]</tt><tt class="py-op">)</tt><tt class="py-op">)</tt> </tt>
<a name="L163"></a><tt class="py-lineno">163</tt>  <tt class="py-line">        <tt class="py-name">s</tt><tt class="py-op">+=</tt><tt class="py-string">"}\n"</tt> </tt>
<a name="L164"></a><tt class="py-lineno">164</tt>  <tt class="py-line">        <tt class="py-keyword">return</tt> <tt class="py-name">s</tt> </tt>
</div><a name="L165"></a><tt class="py-lineno">165</tt>  <tt class="py-line"> </tt>
<a name="AtomtypesRecord.__repr__"></a><div id="AtomtypesRecord.__repr__-def"><a name="L166"></a><tt class="py-lineno">166</tt> <a class="py-toggle" href="#" id="AtomtypesRecord.__repr__-toggle" onclick="return toggle('AtomtypesRecord.__repr__');">-</a><tt class="py-line">    <tt class="py-keyword">def</tt> <a class="py-def-name" href="p4vasp.cStructure.AtomtypesRecord-class.html#__repr__">__repr__</a><tt class="py-op">(</tt><tt class="py-param">self</tt><tt class="py-op">)</tt><tt class="py-op">:</tt> </tt>
</div><div id="AtomtypesRecord.__repr__-collapsed" style="display:none;" pad="+++" indent="++++++++"></div><div id="AtomtypesRecord.__repr__-expanded"><a name="L167"></a><tt class="py-lineno">167</tt>  <tt class="py-line">        <tt class="py-keyword">return</tt> <tt class="py-string">"&lt;C AtomtypesRecord instance at %s&gt;"</tt> <tt class="py-op">%</tt> <tt class="py-op">(</tt><tt class="py-name">self</tt><tt class="py-op">.</tt><tt class="py-name">this</tt><tt class="py-op">,</tt><tt class="py-op">)</tt> </tt>
</div><a name="L168"></a><tt class="py-lineno">168</tt>  <tt class="py-line"> </tt>
<a name="AtomtypesRecord.setAtomtypesRecord"></a><div id="AtomtypesRecord.setAtomtypesRecord-def"><a name="L169"></a><tt class="py-lineno">169</tt> <a class="py-toggle" href="#" id="AtomtypesRecord.setAtomtypesRecord-toggle" onclick="return toggle('AtomtypesRecord.setAtomtypesRecord');">-</a><tt class="py-line">    <tt class="py-keyword">def</tt> <a class="py-def-name" href="p4vasp.cStructure.AtomtypesRecord-class.html#setAtomtypesRecord">setAtomtypesRecord</a><tt class="py-op">(</tt><tt class="py-param">self</tt><tt class="py-op">,</tt><tt class="py-param">a</tt><tt class="py-op">)</tt><tt class="py-op">:</tt> </tt>
</div><div id="AtomtypesRecord.setAtomtypesRecord-collapsed" style="display:none;" pad="+++" indent="++++++++"></div><div id="AtomtypesRecord.setAtomtypesRecord-expanded"><a name="L170"></a><tt class="py-lineno">170</tt>  <tt class="py-line">        <tt class="py-keyword">if</tt> <tt class="py-name">isinstance</tt><tt class="py-op">(</tt><tt class="py-name">a</tt><tt class="py-op">,</tt><tt class="py-name">cp4vasp</tt><tt class="py-op">.</tt><tt id="link-70" class="py-name"><a title="p4vasp.Structure.AtomtypesRecord
p4vasp.cStructure.AtomtypesRecord" class="py-name" href="#" onclick="return doclink('link-70', 'AtomtypesRecord', 'link-18');">AtomtypesRecord</a></tt><tt class="py-op">)</tt><tt class="py-op">:</tt> </tt>
<a name="L171"></a><tt class="py-lineno">171</tt>  <tt class="py-line">            <tt class="py-name">_cp4vasp</tt><tt class="py-op">.</tt><tt class="py-name">AtomtypesRecord_setAtomtypesRecord</tt><tt class="py-op">(</tt><tt class="py-name">self</tt><tt class="py-op">.</tt><tt class="py-name">this</tt><tt class="py-op">,</tt><tt class="py-name">a</tt><tt class="py-op">)</tt> </tt>
<a name="L172"></a><tt class="py-lineno">172</tt>  <tt class="py-line">        <tt class="py-keyword">elif</tt> <tt class="py-name">isinstance</tt><tt class="py-op">(</tt><tt class="py-name">a</tt><tt class="py-op">,</tt><tt id="link-71" class="py-name"><a title="p4vasp" class="py-name" href="#" onclick="return doclink('link-71', 'p4vasp', 'link-0');">p4vasp</a></tt><tt class="py-op">.</tt><tt id="link-72" class="py-name"><a title="p4vasp.Structure
p4vasp.Structure.Structure
p4vasp.cStructure.Structure" class="py-name" href="#" onclick="return doclink('link-72', 'Structure', 'link-3');">Structure</a></tt><tt class="py-op">.</tt><tt id="link-73" class="py-name"><a title="p4vasp.Structure.AtomtypesRecord
p4vasp.cStructure.AtomtypesRecord" class="py-name" href="#" onclick="return doclink('link-73', 'AtomtypesRecord', 'link-18');">AtomtypesRecord</a></tt><tt class="py-op">)</tt><tt class="py-op">:</tt> </tt>
<a name="L173"></a><tt class="py-lineno">173</tt>  <tt class="py-line">            <tt class="py-name">f</tt><tt class="py-op">=</tt><tt class="py-name">a</tt><tt class="py-op">.</tt><tt id="link-74" class="py-name"><a title="p4vasp.Array.ArrayRecord.getFields
p4vasp.cStructure.AtomtypesRecord.getFields" class="py-name" href="#" onclick="return doclink('link-74', 'getFields', 'link-69');">getFields</a></tt><tt class="py-op">(</tt><tt class="py-op">)</tt><tt class="py-op">;</tt> </tt>
<a name="L174"></a><tt class="py-lineno">174</tt>  <tt class="py-line">            <tt class="py-keyword">for</tt> <tt class="py-name">x</tt> <tt class="py-keyword">in</tt> <tt class="py-name">self</tt><tt class="py-op">.</tt><tt id="link-75" class="py-name"><a title="p4vasp.Array.ArrayRecord.getFields
p4vasp.cStructure.AtomtypesRecord.getFields" class="py-name" href="#" onclick="return doclink('link-75', 'getFields', 'link-69');">getFields</a></tt><tt class="py-op">(</tt><tt class="py-op">)</tt><tt class="py-op">:</tt> </tt>
<a name="L175"></a><tt class="py-lineno">175</tt>  <tt class="py-line">                <tt class="py-keyword">if</tt> <tt class="py-name">x</tt> <tt class="py-keyword">in</tt> <tt class="py-name">f</tt><tt class="py-op">:</tt> </tt>
<a name="L176"></a><tt class="py-lineno">176</tt>  <tt class="py-line">                    <tt class="py-name">self</tt><tt class="py-op">[</tt><tt class="py-name">x</tt><tt class="py-op">]</tt><tt class="py-op">=</tt><tt class="py-name">a</tt><tt class="py-op">[</tt><tt class="py-name">x</tt><tt class="py-op">]</tt> </tt>
<a name="L177"></a><tt class="py-lineno">177</tt>  <tt class="py-line">        <tt class="py-keyword">else</tt><tt class="py-op">:</tt> </tt>
<a name="L178"></a><tt class="py-lineno">178</tt>  <tt class="py-line">            <tt class="py-keyword">raise</tt> <tt class="py-name">TypeError</tt><tt class="py-op">,</tt><tt class="py-name">a</tt> </tt>
</div><a name="AtomtypesRecord.__del__"></a><div id="AtomtypesRecord.__del__-def"><a name="L179"></a><tt class="py-lineno">179</tt> <a class="py-toggle" href="#" id="AtomtypesRecord.__del__-toggle" onclick="return toggle('AtomtypesRecord.__del__');">-</a><tt class="py-line">    <tt class="py-keyword">def</tt> <a class="py-def-name" href="p4vasp.cStructure.AtomtypesRecord-class.html#__del__">__del__</a><tt class="py-op">(</tt><tt class="py-param">self</tt><tt class="py-op">,</tt> <tt class="py-param">destroy</tt><tt class="py-op">=</tt> <tt class="py-name">_cp4vasp</tt><tt class="py-op">.</tt><tt class="py-name">delete_AtomtypesRecord</tt><tt class="py-op">)</tt><tt class="py-op">:</tt> </tt>
</div><div id="AtomtypesRecord.__del__-collapsed" style="display:none;" pad="+++" indent="++++++++"></div><div id="AtomtypesRecord.__del__-expanded"><a name="L180"></a><tt class="py-lineno">180</tt>  <tt class="py-line">        <tt class="py-keyword">try</tt><tt class="py-op">:</tt> </tt>
<a name="L181"></a><tt class="py-lineno">181</tt>  <tt class="py-line">            <tt class="py-keyword">if</tt> <tt class="py-name">self</tt><tt class="py-op">.</tt><tt class="py-name">thisown</tt><tt class="py-op">:</tt> </tt>
<a name="L182"></a><tt class="py-lineno">182</tt>  <tt class="py-line"><tt class="py-comment">#          print "del AtomtypesRecord",self.this</tt> </tt>
<a name="L183"></a><tt class="py-lineno">183</tt>  <tt class="py-line">                <tt id="link-76" class="py-name" targets="Method p4vasp.GraphCanvas.Export.destroy()=p4vasp.GraphCanvas.Export-class.html#destroy,Method p4vasp.GraphCanvas_gtk1.Export.destroy()=p4vasp.GraphCanvas_gtk1.Export-class.html#destroy,Method p4vasp.applet.Applet.Applet.destroy()=p4vasp.applet.Applet.Applet-class.html#destroy,Method p4vasp.applet.Applet.GraphApplet.destroy()=p4vasp.applet.Applet.GraphApplet-class.html#destroy,Method p4vasp.applet.GraphWindowApplet.GraphWindowApplet.destroy()=p4vasp.applet.GraphWindowApplet.GraphWindowApplet-class.html#destroy,Method p4vasp.applet.STMWindowControlApplet.STMWindowControlApplet.destroy()=p4vasp.applet.STMWindowControlApplet.STMWindowControlApplet-class.html#destroy,Method p4vasp.applet.StructureApplet.StructureApplet.destroy()=p4vasp.applet.StructureApplet.StructureApplet-class.html#destroy,Method p4vasp.applet.StructureWindowControlApplet.StructureWindowControlApplet.destroy()=p4vasp.applet.StructureWindowControlApplet.StructureWindowControlApplet-class.html#destroy"><a title="p4vasp.GraphCanvas.Export.destroy
p4vasp.GraphCanvas_gtk1.Export.destroy
p4vasp.applet.Applet.Applet.destroy
p4vasp.applet.Applet.GraphApplet.destroy
p4vasp.applet.GraphWindowApplet.GraphWindowApplet.destroy
p4vasp.applet.STMWindowControlApplet.STMWindowControlApplet.destroy
p4vasp.applet.StructureApplet.StructureApplet.destroy
p4vasp.applet.StructureWindowControlApplet.StructureWindowControlApplet.destroy" class="py-name" href="#" onclick="return doclink('link-76', 'destroy', 'link-76');">destroy</a></tt><tt class="py-op">(</tt><tt class="py-name">self</tt><tt class="py-op">.</tt><tt class="py-name">this</tt><tt class="py-op">)</tt> </tt>
<a name="L184"></a><tt class="py-lineno">184</tt>  <tt class="py-line">                <tt id="link-77" class="py-name" targets="Function p4vasp.cStructure.save_dummy_pointer()=p4vasp.cStructure-module.html#save_dummy_pointer"><a title="p4vasp.cStructure.save_dummy_pointer" class="py-name" href="#" onclick="return doclink('link-77', 'save_dummy_pointer', 'link-77');">save_dummy_pointer</a></tt><tt class="py-op">(</tt><tt class="py-name">self</tt><tt class="py-op">.</tt><tt class="py-name">this</tt><tt class="py-op">)</tt> </tt>
<a name="L185"></a><tt class="py-lineno">185</tt>  <tt class="py-line">        <tt class="py-keyword">except</tt><tt class="py-op">:</tt> <tt class="py-keyword">pass</tt> </tt>
</div></div><a name="L186"></a><tt class="py-lineno">186</tt>  <tt class="py-line"> </tt>
<a name="AtomInfo"></a><div id="AtomInfo-def"><a name="L187"></a><tt class="py-lineno">187</tt> <a class="py-toggle" href="#" id="AtomInfo-toggle" onclick="return toggle('AtomInfo');">-</a><tt class="py-line"><tt class="py-keyword">class</tt> <a class="py-def-name" href="p4vasp.cStructure.AtomInfo-class.html">AtomInfo</a><tt class="py-op">(</tt><tt class="py-base-class">cp4vasp</tt><tt class="py-op">.</tt><tt class="py-base-class">AtomInfo</tt><tt class="py-op">,</tt><tt class="py-base-class">p4vasp</tt><tt class="py-op">.</tt><tt class="py-base-class">Structure</tt><tt class="py-op">.</tt><tt class="py-base-class">AtomInfo</tt><tt class="py-op">)</tt><tt class="py-op">:</tt> </tt>
</div><div id="AtomInfo-collapsed" style="display:none;" pad="+++" indent="++++"></div><div id="AtomInfo-expanded"><a name="L188"></a><tt class="py-lineno">188</tt>  <tt class="py-line">    <tt id="link-78" class="py-name" targets="Variable p4vasp.cStructure.AtomInfo.element=p4vasp.cStructure.AtomInfo-class.html#element"><a title="p4vasp.cStructure.AtomInfo.element" class="py-name" href="#" onclick="return doclink('link-78', 'element', 'link-78');">element</a></tt><tt class="py-op">=</tt><tt class="py-name">None</tt> </tt>
<a name="L189"></a><tt class="py-lineno">189</tt>  <tt class="py-line">    <tt id="link-79" class="py-name" targets="Variable p4vasp.cStructure.AtomInfo.help_record=p4vasp.cStructure.AtomInfo-class.html#help_record"><a title="p4vasp.cStructure.AtomInfo.help_record" class="py-name" href="#" onclick="return doclink('link-79', 'help_record', 'link-79');">help_record</a></tt><tt class="py-op">=</tt><tt id="link-80" class="py-name"><a title="p4vasp.Structure.AtomtypesRecord
p4vasp.cStructure.AtomtypesRecord" class="py-name" href="#" onclick="return doclink('link-80', 'AtomtypesRecord', 'link-18');">AtomtypesRecord</a></tt><tt class="py-op">(</tt><tt class="py-op">)</tt> </tt>
<a name="AtomInfo.__init__"></a><div id="AtomInfo.__init__-def"><a name="L190"></a><tt class="py-lineno">190</tt> <a class="py-toggle" href="#" id="AtomInfo.__init__-toggle" onclick="return toggle('AtomInfo.__init__');">-</a><tt class="py-line">    <tt class="py-keyword">def</tt> <a class="py-def-name" href="p4vasp.cStructure.AtomInfo-class.html#__init__">__init__</a><tt class="py-op">(</tt><tt class="py-param">self</tt><tt class="py-op">,</tt><tt class="py-param">init</tt><tt class="py-op">=</tt><tt class="py-name">None</tt><tt class="py-op">,</tt><tt class="py-param">pointer</tt><tt class="py-op">=</tt><tt class="py-name">None</tt><tt class="py-op">)</tt><tt class="py-op">:</tt> </tt>
</div><div id="AtomInfo.__init__-collapsed" style="display:none;" pad="+++" indent="++++++++"></div><div id="AtomInfo.__init__-expanded"><a name="L191"></a><tt class="py-lineno">191</tt>  <tt class="py-line">        <tt class="py-keyword">if</tt> <tt class="py-name">pointer</tt><tt class="py-op">:</tt> </tt>
<a name="L192"></a><tt class="py-lineno">192</tt>  <tt class="py-line">            <tt class="py-name">self</tt><tt class="py-op">.</tt><tt class="py-name">this</tt> <tt class="py-op">=</tt> <tt class="py-name">pointer</tt> </tt>
<a name="L193"></a><tt class="py-lineno">193</tt>  <tt class="py-line">            <tt class="py-name">self</tt><tt class="py-op">.</tt><tt class="py-name">thisown</tt> <tt class="py-op">=</tt> <tt class="py-number">0</tt> </tt>
<a name="L194"></a><tt class="py-lineno">194</tt>  <tt class="py-line">        <tt class="py-keyword">elif</tt> <tt class="py-name">isinstance</tt><tt class="py-op">(</tt><tt id="link-81" class="py-name"><a title="p4vasp.db.P4VMixin.init
p4vasp.db.UserManagementMixin.init" class="py-name" href="#" onclick="return doclink('link-81', 'init', 'link-15');">init</a></tt><tt class="py-op">,</tt><tt id="link-82" class="py-name"><a title="p4vasp" class="py-name" href="#" onclick="return doclink('link-82', 'p4vasp', 'link-0');">p4vasp</a></tt><tt class="py-op">.</tt><tt id="link-83" class="py-name"><a title="p4vasp.Structure
p4vasp.Structure.Structure
p4vasp.cStructure.Structure" class="py-name" href="#" onclick="return doclink('link-83', 'Structure', 'link-3');">Structure</a></tt><tt class="py-op">.</tt><tt id="link-84" class="py-name" targets="Class p4vasp.Structure.AtomInfo=p4vasp.Structure.AtomInfo-class.html,Class p4vasp.cStructure.AtomInfo=p4vasp.cStructure.AtomInfo-class.html"><a title="p4vasp.Structure.AtomInfo
p4vasp.cStructure.AtomInfo" class="py-name" href="#" onclick="return doclink('link-84', 'AtomInfo', 'link-84');">AtomInfo</a></tt><tt class="py-op">)</tt><tt class="py-op">:</tt> </tt>
<a name="L195"></a><tt class="py-lineno">195</tt>  <tt class="py-line">            <tt class="py-name">self</tt><tt class="py-op">.</tt><tt class="py-name">this</tt> <tt class="py-op">=</tt> <tt id="link-85" class="py-name"><a title="p4vasp.cStructure.extractPointer" class="py-name" href="#" onclick="return doclink('link-85', 'extractPointer', 'link-19');">extractPointer</a></tt><tt class="py-op">(</tt><tt class="py-name">_cp4vasp</tt><tt class="py-op">.</tt><tt class="py-name">new_AtomInfo</tt><tt class="py-op">(</tt><tt class="py-number">0</tt><tt class="py-op">)</tt><tt class="py-op">)</tt> </tt>
<a name="L196"></a><tt class="py-lineno">196</tt>  <tt class="py-line">            <tt class="py-name">self</tt><tt class="py-op">.</tt><tt class="py-name">thisown</tt> <tt class="py-op">=</tt> <tt class="py-number">1</tt> </tt>
<a name="L197"></a><tt class="py-lineno">197</tt>  <tt class="py-line">            <tt class="py-name">self</tt><tt class="py-op">.</tt><tt id="link-86" class="py-name" targets="Method p4vasp.cStructure.AtomInfo.setAtomInfo()=p4vasp.cStructure.AtomInfo-class.html#setAtomInfo"><a title="p4vasp.cStructure.AtomInfo.setAtomInfo" class="py-name" href="#" onclick="return doclink('link-86', 'setAtomInfo', 'link-86');">setAtomInfo</a></tt><tt class="py-op">(</tt><tt id="link-87" class="py-name"><a title="p4vasp.db.P4VMixin.init
p4vasp.db.UserManagementMixin.init" class="py-name" href="#" onclick="return doclink('link-87', 'init', 'link-15');">init</a></tt><tt class="py-op">)</tt> </tt>
<a name="L198"></a><tt class="py-lineno">198</tt>  <tt class="py-line">        <tt class="py-keyword">elif</tt> <tt class="py-name">type</tt><tt class="py-op">(</tt><tt id="link-88" class="py-name"><a title="p4vasp.db.P4VMixin.init
p4vasp.db.UserManagementMixin.init" class="py-name" href="#" onclick="return doclink('link-88', 'init', 'link-15');">init</a></tt><tt class="py-op">)</tt> <tt class="py-keyword">is</tt> <tt class="py-name">IntType</tt><tt class="py-op">:</tt> </tt>
<a name="L199"></a><tt class="py-lineno">199</tt>  <tt class="py-line">            <tt class="py-name">self</tt><tt class="py-op">.</tt><tt class="py-name">this</tt> <tt class="py-op">=</tt> <tt id="link-89" class="py-name"><a title="p4vasp.cStructure.extractPointer" class="py-name" href="#" onclick="return doclink('link-89', 'extractPointer', 'link-19');">extractPointer</a></tt><tt class="py-op">(</tt><tt class="py-name">_cp4vasp</tt><tt class="py-op">.</tt><tt class="py-name">new_AtomInfo</tt><tt class="py-op">(</tt><tt id="link-90" class="py-name"><a title="p4vasp.db.P4VMixin.init
p4vasp.db.UserManagementMixin.init" class="py-name" href="#" onclick="return doclink('link-90', 'init', 'link-15');">init</a></tt><tt class="py-op">)</tt><tt class="py-op">)</tt> </tt>
<a name="L200"></a><tt class="py-lineno">200</tt>  <tt class="py-line">            <tt class="py-name">self</tt><tt class="py-op">.</tt><tt class="py-name">thisown</tt> <tt class="py-op">=</tt> <tt class="py-number">1</tt> </tt>
<a name="L201"></a><tt class="py-lineno">201</tt>  <tt class="py-line">        <tt class="py-keyword">elif</tt> <tt class="py-name">type</tt><tt class="py-op">(</tt><tt id="link-91" class="py-name"><a title="p4vasp.db.P4VMixin.init
p4vasp.db.UserManagementMixin.init" class="py-name" href="#" onclick="return doclink('link-91', 'init', 'link-15');">init</a></tt><tt class="py-op">)</tt> <tt class="py-keyword">in</tt> <tt id="link-92" class="py-name" targets="Variable p4vasp.GraphCanvas.StringTypes=p4vasp.GraphCanvas-module.html#StringTypes,Variable p4vasp.GraphPM.StringTypes=p4vasp.GraphPM-module.html#StringTypes,Variable p4vasp.Structure.StringTypes=p4vasp.Structure-module.html#StringTypes,Variable p4vasp.cmatrix.StringTypes=p4vasp.cmatrix-module.html#StringTypes,Variable p4vasp.matrix.StringTypes=p4vasp.matrix-module.html#StringTypes,Variable p4vasp.paint3d.ColladaPaint3D.StringTypes=p4vasp.paint3d.ColladaPaint3D-module.html#StringTypes,Variable p4vasp.paint3d.MeshTools.StringTypes=p4vasp.paint3d.MeshTools-module.html#StringTypes,Variable p4vasp.paint3d.OpenGLPaint3D.StringTypes=p4vasp.paint3d.OpenGLPaint3D-module.html#StringTypes"><a title="p4vasp.GraphCanvas.StringTypes
p4vasp.GraphPM.StringTypes
p4vasp.Structure.StringTypes
p4vasp.cmatrix.StringTypes
p4vasp.matrix.StringTypes
p4vasp.paint3d.ColladaPaint3D.StringTypes
p4vasp.paint3d.MeshTools.StringTypes
p4vasp.paint3d.OpenGLPaint3D.StringTypes" class="py-name" href="#" onclick="return doclink('link-92', 'StringTypes', 'link-92');">StringTypes</a></tt><tt class="py-op">:</tt> </tt>
<a name="L202"></a><tt class="py-lineno">202</tt>  <tt class="py-line">            <tt class="py-name">self</tt><tt class="py-op">.</tt><tt class="py-name">this</tt> <tt class="py-op">=</tt> <tt id="link-93" class="py-name"><a title="p4vasp.cStructure.extractPointer" class="py-name" href="#" onclick="return doclink('link-93', 'extractPointer', 'link-19');">extractPointer</a></tt><tt class="py-op">(</tt><tt class="py-name">_cp4vasp</tt><tt class="py-op">.</tt><tt class="py-name">new_AtomInfo</tt><tt class="py-op">(</tt><tt class="py-number">0</tt><tt class="py-op">)</tt><tt class="py-op">)</tt> </tt>
<a name="L203"></a><tt class="py-lineno">203</tt>  <tt class="py-line">            <tt class="py-name">self</tt><tt class="py-op">.</tt><tt class="py-name">thisown</tt> <tt class="py-op">=</tt> <tt class="py-number">1</tt> </tt>
<a name="L204"></a><tt class="py-lineno">204</tt>  <tt class="py-line">            <tt class="py-name">ai</tt><tt class="py-op">=</tt><tt id="link-94" class="py-name"><a title="p4vasp" class="py-name" href="#" onclick="return doclink('link-94', 'p4vasp', 'link-0');">p4vasp</a></tt><tt class="py-op">.</tt><tt id="link-95" class="py-name"><a title="p4vasp.Structure
p4vasp.Structure.Structure
p4vasp.cStructure.Structure" class="py-name" href="#" onclick="return doclink('link-95', 'Structure', 'link-3');">Structure</a></tt><tt class="py-op">.</tt><tt id="link-96" class="py-name"><a title="p4vasp.Structure.AtomInfo
p4vasp.cStructure.AtomInfo" class="py-name" href="#" onclick="return doclink('link-96', 'AtomInfo', 'link-84');">AtomInfo</a></tt><tt class="py-op">(</tt><tt id="link-97" class="py-name"><a title="p4vasp.db.P4VMixin.init
p4vasp.db.UserManagementMixin.init" class="py-name" href="#" onclick="return doclink('link-97', 'init', 'link-15');">init</a></tt><tt class="py-op">)</tt> </tt>
<a name="L205"></a><tt class="py-lineno">205</tt>  <tt class="py-line">            <tt class="py-name">self</tt><tt class="py-op">.</tt><tt id="link-98" class="py-name"><a title="p4vasp.cStructure.AtomInfo.setAtomInfo" class="py-name" href="#" onclick="return doclink('link-98', 'setAtomInfo', 'link-86');">setAtomInfo</a></tt><tt class="py-op">(</tt><tt class="py-name">ai</tt><tt class="py-op">)</tt> </tt>
<a name="L206"></a><tt class="py-lineno">206</tt>  <tt class="py-line">        <tt class="py-keyword">elif</tt> <tt id="link-99" class="py-name"><a title="p4vasp.db.P4VMixin.init
p4vasp.db.UserManagementMixin.init" class="py-name" href="#" onclick="return doclink('link-99', 'init', 'link-15');">init</a></tt><tt class="py-op">:</tt> </tt>
<a name="L207"></a><tt class="py-lineno">207</tt>  <tt class="py-line">            <tt class="py-name">self</tt><tt class="py-op">.</tt><tt class="py-name">this</tt> <tt class="py-op">=</tt> <tt id="link-100" class="py-name"><a title="p4vasp.cStructure.extractPointer" class="py-name" href="#" onclick="return doclink('link-100', 'extractPointer', 'link-19');">extractPointer</a></tt><tt class="py-op">(</tt><tt class="py-name">_cp4vasp</tt><tt class="py-op">.</tt><tt class="py-name">new_AtomInfo</tt><tt class="py-op">(</tt><tt class="py-number">0</tt><tt class="py-op">)</tt><tt class="py-op">)</tt> </tt>
<a name="L208"></a><tt class="py-lineno">208</tt>  <tt class="py-line">            <tt class="py-name">self</tt><tt class="py-op">.</tt><tt class="py-name">thisown</tt> <tt class="py-op">=</tt> <tt class="py-number">1</tt> </tt>
<a name="L209"></a><tt class="py-lineno">209</tt>  <tt class="py-line">            <tt class="py-name">self</tt><tt class="py-op">.</tt><tt id="link-101" class="py-name" targets="Method p4vasp.Array.Array.readFromNode()=p4vasp.Array.Array-class.html#readFromNode,Method p4vasp.Array.VArray.readFromNode()=p4vasp.Array.VArray-class.html#readFromNode,Method p4vasp.Dictionary.Dictionary.readFromNode()=p4vasp.Dictionary.Dictionary-class.html#readFromNode,Method p4vasp.Dictionary.Incar.readFromNode()=p4vasp.Dictionary.Incar-class.html#readFromNode,Method p4vasp.Dictionary.StructuredDictionary.readFromNode()=p4vasp.Dictionary.StructuredDictionary-class.html#readFromNode,Method p4vasp.Structure.AtomInfo.readFromNode()=p4vasp.Structure.AtomInfo-class.html#readFromNode,Method p4vasp.Structure.Structure.readFromNode()=p4vasp.Structure.Structure-class.html#readFromNode,Method p4vasp.SystemPM.KpointGeneration.readFromNode()=p4vasp.SystemPM.KpointGeneration-class.html#readFromNode,Method p4vasp.SystemPM.Kpoints.readFromNode()=p4vasp.SystemPM.Kpoints-class.html#readFromNode,Method p4vasp.cStructure.AtomInfo.readFromNode()=p4vasp.cStructure.AtomInfo-class.html#readFromNode,Method p4vasp.cStructure.Structure.readFromNode()=p4vasp.cStructure.Structure-class.html#readFromNode"><a title="p4vasp.Array.Array.readFromNode
p4vasp.Array.VArray.readFromNode
p4vasp.Dictionary.Dictionary.readFromNode
p4vasp.Dictionary.Incar.readFromNode
p4vasp.Dictionary.StructuredDictionary.readFromNode
p4vasp.Structure.AtomInfo.readFromNode
p4vasp.Structure.Structure.readFromNode
p4vasp.SystemPM.KpointGeneration.readFromNode
p4vasp.SystemPM.Kpoints.readFromNode
p4vasp.cStructure.AtomInfo.readFromNode
p4vasp.cStructure.Structure.readFromNode" class="py-name" href="#" onclick="return doclink('link-101', 'readFromNode', 'link-101');">readFromNode</a></tt><tt class="py-op">(</tt><tt id="link-102" class="py-name"><a title="p4vasp.db.P4VMixin.init
p4vasp.db.UserManagementMixin.init" class="py-name" href="#" onclick="return doclink('link-102', 'init', 'link-15');">init</a></tt><tt class="py-op">)</tt> </tt>
<a name="L210"></a><tt class="py-lineno">210</tt>  <tt class="py-line">        <tt class="py-keyword">else</tt><tt class="py-op">:</tt> </tt>
<a name="L211"></a><tt class="py-lineno">211</tt>  <tt class="py-line">            <tt class="py-name">self</tt><tt class="py-op">.</tt><tt class="py-name">this</tt> <tt class="py-op">=</tt> <tt id="link-103" class="py-name"><a title="p4vasp.cStructure.extractPointer" class="py-name" href="#" onclick="return doclink('link-103', 'extractPointer', 'link-19');">extractPointer</a></tt><tt class="py-op">(</tt><tt class="py-name">_cp4vasp</tt><tt class="py-op">.</tt><tt class="py-name">new_AtomInfo</tt><tt class="py-op">(</tt><tt class="py-number">10</tt><tt class="py-op">)</tt><tt class="py-op">)</tt> </tt>
<a name="L212"></a><tt class="py-lineno">212</tt>  <tt class="py-line">            <tt class="py-name">self</tt><tt class="py-op">.</tt><tt class="py-name">thisown</tt> <tt class="py-op">=</tt> <tt class="py-number">1</tt> </tt>
</div><a name="L213"></a><tt class="py-lineno">213</tt>  <tt class="py-line"> </tt>
<a name="AtomInfo.setAtomInfo"></a><div id="AtomInfo.setAtomInfo-def"><a name="L214"></a><tt class="py-lineno">214</tt> <a class="py-toggle" href="#" id="AtomInfo.setAtomInfo-toggle" onclick="return toggle('AtomInfo.setAtomInfo');">-</a><tt class="py-line">    <tt class="py-keyword">def</tt> <a class="py-def-name" href="p4vasp.cStructure.AtomInfo-class.html#setAtomInfo">setAtomInfo</a><tt class="py-op">(</tt><tt class="py-param">self</tt><tt class="py-op">,</tt><tt class="py-param">a</tt><tt class="py-op">)</tt><tt class="py-op">:</tt> </tt>
</div><div id="AtomInfo.setAtomInfo-collapsed" style="display:none;" pad="+++" indent="++++++++"></div><div id="AtomInfo.setAtomInfo-expanded"><a name="L215"></a><tt class="py-lineno">215</tt>  <tt class="py-line">        <tt class="py-keyword">if</tt> <tt class="py-name">isinstance</tt><tt class="py-op">(</tt><tt class="py-name">a</tt><tt class="py-op">,</tt><tt class="py-name">cp4vasp</tt><tt class="py-op">.</tt><tt id="link-104" class="py-name"><a title="p4vasp.Structure.AtomInfo
p4vasp.cStructure.AtomInfo" class="py-name" href="#" onclick="return doclink('link-104', 'AtomInfo', 'link-84');">AtomInfo</a></tt><tt class="py-op">)</tt><tt class="py-op">:</tt> </tt>
<a name="L216"></a><tt class="py-lineno">216</tt>  <tt class="py-line">            <tt class="py-name">_cp4vasp</tt><tt class="py-op">.</tt><tt class="py-name">AtomInfo_setAtomInfo</tt><tt class="py-op">(</tt><tt class="py-name">self</tt><tt class="py-op">.</tt><tt class="py-name">this</tt><tt class="py-op">,</tt><tt id="link-105" class="py-name"><a title="p4vasp.cStructure.extractPointer" class="py-name" href="#" onclick="return doclink('link-105', 'extractPointer', 'link-19');">extractPointer</a></tt><tt class="py-op">(</tt><tt class="py-name">a</tt><tt class="py-op">)</tt><tt class="py-op">)</tt> </tt>
<a name="L217"></a><tt class="py-lineno">217</tt>  <tt class="py-line">        <tt class="py-keyword">elif</tt> <tt class="py-name">isinstance</tt><tt class="py-op">(</tt><tt class="py-name">a</tt><tt class="py-op">,</tt><tt id="link-106" class="py-name"><a title="p4vasp" class="py-name" href="#" onclick="return doclink('link-106', 'p4vasp', 'link-0');">p4vasp</a></tt><tt class="py-op">.</tt><tt id="link-107" class="py-name"><a title="p4vasp.Structure
p4vasp.Structure.Structure
p4vasp.cStructure.Structure" class="py-name" href="#" onclick="return doclink('link-107', 'Structure', 'link-3');">Structure</a></tt><tt class="py-op">.</tt><tt id="link-108" class="py-name"><a title="p4vasp.Structure.AtomInfo
p4vasp.cStructure.AtomInfo" class="py-name" href="#" onclick="return doclink('link-108', 'AtomInfo', 'link-84');">AtomInfo</a></tt><tt class="py-op">)</tt><tt class="py-op">:</tt> </tt>
<a name="L218"></a><tt class="py-lineno">218</tt>  <tt class="py-line">            <tt class="py-name">self</tt><tt class="py-op">.</tt><tt id="link-109" class="py-name" targets="Method p4vasp.Structure.AtomInfo.allocate()=p4vasp.Structure.AtomInfo-class.html#allocate,Method p4vasp.Structure.AtomtypesArray.allocate()=p4vasp.Structure.AtomtypesArray-class.html#allocate,Method p4vasp.cStructure.Structure.allocate()=p4vasp.cStructure.Structure-class.html#allocate"><a title="p4vasp.Structure.AtomInfo.allocate
p4vasp.Structure.AtomtypesArray.allocate
p4vasp.cStructure.Structure.allocate" class="py-name" href="#" onclick="return doclink('link-109', 'allocate', 'link-109');">allocate</a></tt><tt class="py-op">(</tt><tt id="link-110" class="py-name"><a title="p4vasp.cStructure.Structure.len" class="py-name" href="#" onclick="return doclink('link-110', 'len', 'link-49');">len</a></tt><tt class="py-op">(</tt><tt class="py-name">a</tt><tt class="py-op">)</tt><tt class="py-op">)</tt> </tt>
<a name="L219"></a><tt class="py-lineno">219</tt>  <tt class="py-line">            <tt class="py-keyword">for</tt> <tt id="link-111" class="py-name"><a title="p4vasp.paint3d.OpenGLPaint3D.i" class="py-name" href="#" onclick="return doclink('link-111', 'i', 'link-51');">i</a></tt> <tt class="py-keyword">in</tt> <tt class="py-name">range</tt><tt class="py-op">(</tt><tt id="link-112" class="py-name"><a title="p4vasp.cStructure.Structure.len" class="py-name" href="#" onclick="return doclink('link-112', 'len', 'link-49');">len</a></tt><tt class="py-op">(</tt><tt class="py-name">a</tt><tt class="py-op">)</tt><tt class="py-op">)</tt><tt class="py-op">:</tt> </tt>
<a name="L220"></a><tt class="py-lineno">220</tt>  <tt class="py-line">                <tt class="py-name">self</tt><tt class="py-op">.</tt><tt id="link-113" class="py-name" targets="Method p4vasp.Structure.AtomInfo.setRecord()=p4vasp.Structure.AtomInfo-class.html#setRecord,Method p4vasp.cStructure.AtomInfo.setRecord()=p4vasp.cStructure.AtomInfo-class.html#setRecord"><a title="p4vasp.Structure.AtomInfo.setRecord
p4vasp.cStructure.AtomInfo.setRecord" class="py-name" href="#" onclick="return doclink('link-113', 'setRecord', 'link-113');">setRecord</a></tt><tt class="py-op">(</tt><tt id="link-114" class="py-name"><a title="p4vasp.paint3d.OpenGLPaint3D.i" class="py-name" href="#" onclick="return doclink('link-114', 'i', 'link-51');">i</a></tt><tt class="py-op">,</tt><tt class="py-name">a</tt><tt class="py-op">[</tt><tt id="link-115" class="py-name"><a title="p4vasp.paint3d.OpenGLPaint3D.i" class="py-name" href="#" onclick="return doclink('link-115', 'i', 'link-51');">i</a></tt><tt class="py-op">]</tt><tt class="py-op">)</tt> </tt>
<a name="L221"></a><tt class="py-lineno">221</tt>  <tt class="py-line">        <tt class="py-keyword">else</tt><tt class="py-op">:</tt> </tt>
<a name="L222"></a><tt class="py-lineno">222</tt>  <tt class="py-line"><tt class="py-comment">#        print "cStructure.setAtomInfo",a</tt> </tt>
<a name="L223"></a><tt class="py-lineno">223</tt>  <tt class="py-line">            <tt class="py-keyword">raise</tt> <tt class="py-name">TypeError</tt><tt class="py-op">,</tt><tt class="py-name">a</tt> </tt>
</div><a name="L224"></a><tt class="py-lineno">224</tt>  <tt class="py-line"> </tt>
<a name="AtomInfo.__delitem__"></a><div id="AtomInfo.__delitem__-def"><a name="L225"></a><tt class="py-lineno">225</tt> <a class="py-toggle" href="#" id="AtomInfo.__delitem__-toggle" onclick="return toggle('AtomInfo.__delitem__');">-</a><tt class="py-line">    <tt class="py-keyword">def</tt> <a class="py-def-name" href="p4vasp.cStructure.AtomInfo-class.html#__delitem__">__delitem__</a><tt class="py-op">(</tt><tt class="py-param">self</tt><tt class="py-op">,</tt><tt class="py-param">i</tt><tt class="py-op">)</tt><tt class="py-op">:</tt> </tt>
</div><div id="AtomInfo.__delitem__-collapsed" style="display:none;" pad="+++" indent="++++++++"></div><div id="AtomInfo.__delitem__-expanded"><a name="L226"></a><tt class="py-lineno">226</tt>  <tt class="py-line">        <tt class="py-name">self</tt><tt class="py-op">.</tt><tt id="link-116" class="py-name" targets="Method p4vasp.cStructure.Structure.delitem()=p4vasp.cStructure.Structure-class.html#delitem"><a title="p4vasp.cStructure.Structure.delitem" class="py-name" href="#" onclick="return doclink('link-116', 'delitem', 'link-116');">delitem</a></tt><tt class="py-op">(</tt><tt id="link-117" class="py-name"><a title="p4vasp.paint3d.OpenGLPaint3D.i" class="py-name" href="#" onclick="return doclink('link-117', 'i', 'link-51');">i</a></tt><tt class="py-op">)</tt> </tt>
</div><a name="L227"></a><tt class="py-lineno">227</tt>  <tt class="py-line"> </tt>
<a name="AtomInfo.append"></a><div id="AtomInfo.append-def"><a name="L228"></a><tt class="py-lineno">228</tt> <a class="py-toggle" href="#" id="AtomInfo.append-toggle" onclick="return toggle('AtomInfo.append');">-</a><tt class="py-line">    <tt class="py-keyword">def</tt> <a class="py-def-name" href="p4vasp.cStructure.AtomInfo-class.html#append">append</a><tt class="py-op">(</tt><tt class="py-param">self</tt><tt class="py-op">,</tt><tt class="py-param">value</tt><tt class="py-op">)</tt><tt class="py-op">:</tt> </tt>
</div><div id="AtomInfo.append-collapsed" style="display:none;" pad="+++" indent="++++++++"></div><div id="AtomInfo.append-expanded"><a name="L229"></a><tt class="py-lineno">229</tt>  <tt class="py-line">        <tt class="py-keyword">if</tt> <tt class="py-name">isinstance</tt><tt class="py-op">(</tt><tt class="py-name">value</tt><tt class="py-op">,</tt><tt class="py-name">cp4vasp</tt><tt class="py-op">.</tt><tt id="link-118" class="py-name"><a title="p4vasp.Structure.AtomtypesRecord
p4vasp.cStructure.AtomtypesRecord" class="py-name" href="#" onclick="return doclink('link-118', 'AtomtypesRecord', 'link-18');">AtomtypesRecord</a></tt><tt class="py-op">)</tt><tt class="py-op">:</tt> </tt>
<a name="L230"></a><tt class="py-lineno">230</tt>  <tt class="py-line">            <tt class="py-name">_cp4vasp</tt><tt class="py-op">.</tt><tt class="py-name">AtomInfo_append</tt><tt class="py-op">(</tt><tt class="py-name">self</tt><tt class="py-op">.</tt><tt class="py-name">this</tt><tt class="py-op">,</tt><tt class="py-name">value</tt><tt class="py-op">)</tt> </tt>
<a name="L231"></a><tt class="py-lineno">231</tt>  <tt class="py-line">        <tt class="py-keyword">elif</tt> <tt class="py-name">isinstance</tt><tt class="py-op">(</tt><tt class="py-name">value</tt><tt class="py-op">,</tt><tt id="link-119" class="py-name"><a title="p4vasp" class="py-name" href="#" onclick="return doclink('link-119', 'p4vasp', 'link-0');">p4vasp</a></tt><tt class="py-op">.</tt><tt id="link-120" class="py-name"><a title="p4vasp.Structure
p4vasp.Structure.Structure
p4vasp.cStructure.Structure" class="py-name" href="#" onclick="return doclink('link-120', 'Structure', 'link-3');">Structure</a></tt><tt class="py-op">.</tt><tt id="link-121" class="py-name"><a title="p4vasp.Structure.AtomtypesRecord
p4vasp.cStructure.AtomtypesRecord" class="py-name" href="#" onclick="return doclink('link-121', 'AtomtypesRecord', 'link-18');">AtomtypesRecord</a></tt><tt class="py-op">)</tt><tt class="py-op">:</tt> </tt>
<a name="L232"></a><tt class="py-lineno">232</tt>  <tt class="py-line">            <tt class="py-name">value</tt><tt class="py-op">=</tt><tt id="link-122" class="py-name"><a title="p4vasp.Structure.AtomtypesRecord
p4vasp.cStructure.AtomtypesRecord" class="py-name" href="#" onclick="return doclink('link-122', 'AtomtypesRecord', 'link-18');">AtomtypesRecord</a></tt><tt class="py-op">(</tt><tt class="py-name">value</tt><tt class="py-op">)</tt> </tt>
<a name="L233"></a><tt class="py-lineno">233</tt>  <tt class="py-line">            <tt class="py-name">_cp4vasp</tt><tt class="py-op">.</tt><tt class="py-name">AtomInfo_append</tt><tt class="py-op">(</tt><tt class="py-name">self</tt><tt class="py-op">.</tt><tt class="py-name">this</tt><tt class="py-op">,</tt><tt class="py-name">value</tt><tt class="py-op">)</tt> </tt>
<a name="L234"></a><tt class="py-lineno">234</tt>  <tt class="py-line">        <tt class="py-keyword">else</tt><tt class="py-op">:</tt> </tt>
<a name="L235"></a><tt class="py-lineno">235</tt>  <tt class="py-line">            <tt class="py-keyword">raise</tt> <tt class="py-name">TypeError</tt><tt class="py-op">,</tt><tt class="py-name">value</tt> </tt>
</div><a name="L236"></a><tt class="py-lineno">236</tt>  <tt class="py-line"> </tt>
<a name="AtomInfo.extend"></a><div id="AtomInfo.extend-def"><a name="L237"></a><tt class="py-lineno">237</tt> <a class="py-toggle" href="#" id="AtomInfo.extend-toggle" onclick="return toggle('AtomInfo.extend');">-</a><tt class="py-line">    <tt class="py-keyword">def</tt> <a class="py-def-name" href="p4vasp.cStructure.AtomInfo-class.html#extend">extend</a><tt class="py-op">(</tt><tt class="py-param">self</tt><tt class="py-op">,</tt><tt class="py-param">l</tt><tt class="py-op">)</tt><tt class="py-op">:</tt> </tt>
</div><div id="AtomInfo.extend-collapsed" style="display:none;" pad="+++" indent="++++++++"></div><div id="AtomInfo.extend-expanded"><a name="L238"></a><tt class="py-lineno">238</tt>  <tt class="py-line">        <tt class="py-docstring">"Calls *self.append()* for every element of *l* ."</tt> </tt>
<a name="L239"></a><tt class="py-lineno">239</tt>  <tt class="py-line">        <tt class="py-keyword">for</tt> <tt class="py-name">x</tt> <tt class="py-keyword">in</tt> <tt class="py-name">l</tt><tt class="py-op">:</tt> </tt>
<a name="L240"></a><tt class="py-lineno">240</tt>  <tt class="py-line">            <tt class="py-name">self</tt><tt class="py-op">.</tt><tt id="link-123" class="py-name" targets="Method p4vasp.Structure.AtomInfo.append()=p4vasp.Structure.AtomInfo-class.html#append,Method p4vasp.Structure.Structure.append()=p4vasp.Structure.Structure-class.html#append,Method p4vasp.cStructure.AtomInfo.append()=p4vasp.cStructure.AtomInfo-class.html#append,Method p4vasp.cStructure.Structure.append()=p4vasp.cStructure.Structure-class.html#append,Method p4vasp.graph.Graph.append()=p4vasp.graph.Graph-class.html#append,Method p4vasp.graph.World.append()=p4vasp.graph.World-class.html#append,Method p4vasp.repository.Repository.append()=p4vasp.repository.Repository-class.html#append"><a title="p4vasp.Structure.AtomInfo.append
p4vasp.Structure.Structure.append
p4vasp.cStructure.AtomInfo.append
p4vasp.cStructure.Structure.append
p4vasp.graph.Graph.append
p4vasp.graph.World.append
p4vasp.repository.Repository.append" class="py-name" href="#" onclick="return doclink('link-123', 'append', 'link-123');">append</a></tt><tt class="py-op">(</tt><tt class="py-name">x</tt><tt class="py-op">)</tt> </tt>
</div><a name="L241"></a><tt class="py-lineno">241</tt>  <tt class="py-line"> </tt>
<a name="AtomInfo.getRecord"></a><div id="AtomInfo.getRecord-def"><a name="L242"></a><tt class="py-lineno">242</tt> <a class="py-toggle" href="#" id="AtomInfo.getRecord-toggle" onclick="return toggle('AtomInfo.getRecord');">-</a><tt class="py-line">    <tt class="py-keyword">def</tt> <a class="py-def-name" href="p4vasp.cStructure.AtomInfo-class.html#getRecord">getRecord</a><tt class="py-op">(</tt><tt class="py-param">self</tt><tt class="py-op">,</tt><tt class="py-param">i</tt><tt class="py-op">)</tt><tt class="py-op">:</tt> </tt>
</div><div id="AtomInfo.getRecord-collapsed" style="display:none;" pad="+++" indent="++++++++"></div><div id="AtomInfo.getRecord-expanded"><a name="L243"></a><tt class="py-lineno">243</tt>  <tt class="py-line">        <tt class="py-keyword">return</tt> <tt id="link-124" class="py-name"><a title="p4vasp.Structure.AtomtypesRecord
p4vasp.cStructure.AtomtypesRecord" class="py-name" href="#" onclick="return doclink('link-124', 'AtomtypesRecord', 'link-18');">AtomtypesRecord</a></tt><tt class="py-op">(</tt><tt class="py-name">pointer</tt><tt class="py-op">=</tt><tt id="link-125" class="py-name"><a title="p4vasp.cStructure.extractPointer" class="py-name" href="#" onclick="return doclink('link-125', 'extractPointer', 'link-19');">extractPointer</a></tt><tt class="py-op">(</tt><tt class="py-name">_cp4vasp</tt><tt class="py-op">.</tt><tt class="py-name">AtomInfo_getRecord</tt><tt class="py-op">(</tt><tt class="py-name">self</tt><tt class="py-op">.</tt><tt class="py-name">this</tt><tt class="py-op">,</tt><tt id="link-126" class="py-name"><a title="p4vasp.paint3d.OpenGLPaint3D.i" class="py-name" href="#" onclick="return doclink('link-126', 'i', 'link-51');">i</a></tt><tt class="py-op">)</tt><tt class="py-op">)</tt><tt class="py-op">)</tt> </tt>
</div><a name="L244"></a><tt class="py-lineno">244</tt>  <tt class="py-line"> </tt>
<a name="AtomInfo.setRecord"></a><div id="AtomInfo.setRecord-def"><a name="L245"></a><tt class="py-lineno">245</tt> <a class="py-toggle" href="#" id="AtomInfo.setRecord-toggle" onclick="return toggle('AtomInfo.setRecord');">-</a><tt class="py-line">    <tt class="py-keyword">def</tt> <a class="py-def-name" href="p4vasp.cStructure.AtomInfo-class.html#setRecord">setRecord</a><tt class="py-op">(</tt><tt class="py-param">self</tt><tt class="py-op">,</tt><tt class="py-param">i</tt><tt class="py-op">,</tt><tt class="py-param">value</tt><tt class="py-op">)</tt><tt class="py-op">:</tt> </tt>
</div><div id="AtomInfo.setRecord-collapsed" style="display:none;" pad="+++" indent="++++++++"></div><div id="AtomInfo.setRecord-expanded"><a name="L246"></a><tt class="py-lineno">246</tt>  <tt class="py-line">        <tt class="py-docstring">"""Set the record *i* to *value* .</tt> </tt>
<a name="L247"></a><tt class="py-lineno">247</tt>  <tt class="py-line"><tt class="py-docstring">  Performs value conversion, if necessary.</tt> </tt>
<a name="L248"></a><tt class="py-lineno">248</tt>  <tt class="py-line"><tt class="py-docstring">        """</tt> </tt>
<a name="L249"></a><tt class="py-lineno">249</tt>  <tt class="py-line">        <tt class="py-keyword">if</tt> <tt class="py-name">isinstance</tt><tt class="py-op">(</tt><tt class="py-name">value</tt><tt class="py-op">,</tt><tt class="py-name">cp4vasp</tt><tt class="py-op">.</tt><tt id="link-127" class="py-name"><a title="p4vasp.Structure.AtomtypesRecord
p4vasp.cStructure.AtomtypesRecord" class="py-name" href="#" onclick="return doclink('link-127', 'AtomtypesRecord', 'link-18');">AtomtypesRecord</a></tt><tt class="py-op">)</tt><tt class="py-op">:</tt> </tt>
<a name="L250"></a><tt class="py-lineno">250</tt>  <tt class="py-line">            <tt class="py-name">_cp4vasp</tt><tt class="py-op">.</tt><tt class="py-name">AtomInfo_setRecord</tt><tt class="py-op">(</tt><tt class="py-name">self</tt><tt class="py-op">.</tt><tt class="py-name">this</tt><tt class="py-op">,</tt><tt id="link-128" class="py-name"><a title="p4vasp.paint3d.OpenGLPaint3D.i" class="py-name" href="#" onclick="return doclink('link-128', 'i', 'link-51');">i</a></tt><tt class="py-op">,</tt><tt class="py-name">value</tt><tt class="py-op">)</tt> </tt>
<a name="L251"></a><tt class="py-lineno">251</tt>  <tt class="py-line">        <tt class="py-keyword">elif</tt> <tt class="py-name">isinstance</tt><tt class="py-op">(</tt><tt class="py-name">value</tt><tt class="py-op">,</tt><tt id="link-129" class="py-name"><a title="p4vasp" class="py-name" href="#" onclick="return doclink('link-129', 'p4vasp', 'link-0');">p4vasp</a></tt><tt class="py-op">.</tt><tt id="link-130" class="py-name"><a title="p4vasp.Structure
p4vasp.Structure.Structure
p4vasp.cStructure.Structure" class="py-name" href="#" onclick="return doclink('link-130', 'Structure', 'link-3');">Structure</a></tt><tt class="py-op">.</tt><tt id="link-131" class="py-name"><a title="p4vasp.Structure.AtomtypesRecord
p4vasp.cStructure.AtomtypesRecord" class="py-name" href="#" onclick="return doclink('link-131', 'AtomtypesRecord', 'link-18');">AtomtypesRecord</a></tt><tt class="py-op">)</tt><tt class="py-op">:</tt> </tt>
<a name="L252"></a><tt class="py-lineno">252</tt>  <tt class="py-line">            <tt class="py-name">self</tt><tt class="py-op">.</tt><tt id="link-132" class="py-name"><a title="p4vasp.cStructure.AtomInfo.help_record" class="py-name" href="#" onclick="return doclink('link-132', 'help_record', 'link-79');">help_record</a></tt><tt class="py-op">.</tt><tt id="link-133" class="py-name"><a title="p4vasp.Structure.AtomtypesRecord.setAtomtypesRecord
p4vasp.cStructure.AtomtypesRecord.setAtomtypesRecord" class="py-name" href="#" onclick="return doclink('link-133', 'setAtomtypesRecord', 'link-20');">setAtomtypesRecord</a></tt><tt class="py-op">(</tt><tt class="py-name">value</tt><tt class="py-op">)</tt> </tt>
<a name="L253"></a><tt class="py-lineno">253</tt>  <tt class="py-line">            <tt class="py-name">_cp4vasp</tt><tt class="py-op">.</tt><tt class="py-name">AtomInfo_setRecord</tt><tt class="py-op">(</tt><tt class="py-name">self</tt><tt class="py-op">.</tt><tt class="py-name">this</tt><tt class="py-op">,</tt><tt id="link-134" class="py-name"><a title="p4vasp.paint3d.OpenGLPaint3D.i" class="py-name" href="#" onclick="return doclink('link-134', 'i', 'link-51');">i</a></tt><tt class="py-op">,</tt><tt class="py-name">self</tt><tt class="py-op">.</tt><tt id="link-135" class="py-name"><a title="p4vasp.cStructure.AtomInfo.help_record" class="py-name" href="#" onclick="return doclink('link-135', 'help_record', 'link-79');">help_record</a></tt><tt class="py-op">.</tt><tt class="py-name">this</tt><tt class="py-op">)</tt> </tt>
<a name="L254"></a><tt class="py-lineno">254</tt>  <tt class="py-line">        <tt class="py-keyword">else</tt><tt class="py-op">:</tt> </tt>
<a name="L255"></a><tt class="py-lineno">255</tt>  <tt class="py-line">            <tt class="py-keyword">raise</tt> <tt class="py-name">TypeError</tt><tt class="py-op">,</tt><tt class="py-name">value</tt> </tt>
</div><a name="L256"></a><tt class="py-lineno">256</tt>  <tt class="py-line"> </tt>
<a name="AtomInfo.__repr__"></a><div id="AtomInfo.__repr__-def"><a name="L257"></a><tt class="py-lineno">257</tt> <a class="py-toggle" href="#" id="AtomInfo.__repr__-toggle" onclick="return toggle('AtomInfo.__repr__');">-</a><tt class="py-line">    <tt class="py-keyword">def</tt> <a class="py-def-name" href="p4vasp.cStructure.AtomInfo-class.html#__repr__">__repr__</a><tt class="py-op">(</tt><tt class="py-param">self</tt><tt class="py-op">)</tt><tt class="py-op">:</tt> </tt>
</div><div id="AtomInfo.__repr__-collapsed" style="display:none;" pad="+++" indent="++++++++"></div><div id="AtomInfo.__repr__-expanded"><a name="L258"></a><tt class="py-lineno">258</tt>  <tt class="py-line">        <tt class="py-keyword">return</tt> <tt class="py-string">"&lt;C AtomInfo instance at %s&gt;"</tt> <tt class="py-op">%</tt> <tt class="py-op">(</tt><tt class="py-name">self</tt><tt class="py-op">.</tt><tt class="py-name">this</tt><tt class="py-op">,</tt><tt class="py-op">)</tt> </tt>
</div><a name="L259"></a><tt class="py-lineno">259</tt>  <tt class="py-line"> </tt>
<a name="L260"></a><tt class="py-lineno">260</tt>  <tt class="py-line"> </tt>
<a name="L261"></a><tt class="py-lineno">261</tt>  <tt class="py-line">    <tt id="link-136" class="py-name"><a title="p4vasp.cStructure.AtomInfo.__getmethods__
p4vasp.cStructure.AtomtypesRecord.__getmethods__
p4vasp.cStructure.Structure.__getmethods__" class="py-name" href="#" onclick="return doclink('link-136', '__getmethods__', 'link-38');">__getmethods__</a></tt> <tt class="py-op">=</tt> <tt class="py-op">{</tt><tt class="py-op">}</tt> </tt>
<a name="L262"></a><tt class="py-lineno">262</tt>  <tt class="py-line">    <tt class="py-keyword">for</tt> <tt class="py-name">_s</tt> <tt class="py-keyword">in</tt> <tt class="py-op">[</tt><tt class="py-op">]</tt><tt class="py-op">:</tt> <tt id="link-137" class="py-name"><a title="p4vasp.cStructure.AtomInfo.__getmethods__
p4vasp.cStructure.AtomtypesRecord.__getmethods__
p4vasp.cStructure.Structure.__getmethods__" class="py-name" href="#" onclick="return doclink('link-137', '__getmethods__', 'link-38');">__getmethods__</a></tt><tt class="py-op">.</tt><tt id="link-138" class="py-name"><a title="p4vasp.Dictionary.StructuredDictionary.update
p4vasp.applet.Applet.GraphApplet.update
p4vasp.applet.ElectronicApplet.ElectronicApplet.update
p4vasp.applet.GraphWindowApplet.GraphWindowApplet.update" class="py-name" href="#" onclick="return doclink('link-138', 'update', 'link-27');">update</a></tt><tt class="py-op">(</tt><tt class="py-name">_s</tt><tt class="py-op">.</tt><tt id="link-139" class="py-name"><a title="p4vasp.cStructure.AtomInfo.__getmethods__
p4vasp.cStructure.AtomtypesRecord.__getmethods__
p4vasp.cStructure.Structure.__getmethods__" class="py-name" href="#" onclick="return doclink('link-139', '__getmethods__', 'link-38');">__getmethods__</a></tt><tt class="py-op">)</tt> </tt>
<a name="L263"></a><tt class="py-lineno">263</tt>  <tt class="py-line">    <tt id="link-140" class="py-name"><a title="p4vasp.cStructure.AtomInfo.__getmethods__
p4vasp.cStructure.AtomtypesRecord.__getmethods__
p4vasp.cStructure.Structure.__getmethods__" class="py-name" href="#" onclick="return doclink('link-140', '__getmethods__', 'link-38');">__getmethods__</a></tt><tt class="py-op">.</tt><tt id="link-141" class="py-name"><a title="p4vasp.Dictionary.StructuredDictionary.update
p4vasp.applet.Applet.GraphApplet.update
p4vasp.applet.ElectronicApplet.ElectronicApplet.update
p4vasp.applet.GraphWindowApplet.GraphWindowApplet.update" class="py-name" href="#" onclick="return doclink('link-141', 'update', 'link-27');">update</a></tt><tt class="py-op">(</tt><tt class="py-op">{</tt> </tt>
<a name="L264"></a><tt class="py-lineno">264</tt>  <tt class="py-line">        <tt class="py-string">"types"</tt>           <tt class="py-op">:</tt> <tt class="py-name">_cp4vasp</tt><tt class="py-op">.</tt><tt class="py-name">AtomInfo_types_get</tt><tt class="py-op">,</tt> </tt>
<a name="L265"></a><tt class="py-lineno">265</tt>  <tt class="py-line">        <tt class="py-string">"allocation_step"</tt> <tt class="py-op">:</tt> <tt class="py-name">_cp4vasp</tt><tt class="py-op">.</tt><tt class="py-name">AtomInfo_allocation_step_get</tt><tt class="py-op">,</tt> </tt>
<a name="L266"></a><tt class="py-lineno">266</tt>  <tt class="py-line">        <tt class="py-string">"Natoms"</tt>          <tt class="py-op">:</tt> <tt class="py-name">_cp4vasp</tt><tt class="py-op">.</tt><tt class="py-name">AtomInfo_getNatoms</tt> </tt>
<a name="L267"></a><tt class="py-lineno">267</tt>  <tt class="py-line">    <tt class="py-op">}</tt><tt class="py-op">)</tt> </tt>
<a name="L268"></a><tt class="py-lineno">268</tt>  <tt class="py-line"> </tt>
<a name="AtomInfo.__len__"></a><div id="AtomInfo.__len__-def"><a name="L269"></a><tt class="py-lineno">269</tt> <a class="py-toggle" href="#" id="AtomInfo.__len__-toggle" onclick="return toggle('AtomInfo.__len__');">-</a><tt class="py-line">    <tt class="py-keyword">def</tt> <a class="py-def-name" href="p4vasp.cStructure.AtomInfo-class.html#__len__">__len__</a><tt class="py-op">(</tt><tt class="py-param">self</tt><tt class="py-op">)</tt><tt class="py-op">:</tt> </tt>
</div><div id="AtomInfo.__len__-collapsed" style="display:none;" pad="+++" indent="++++++++"></div><div id="AtomInfo.__len__-expanded"><a name="L270"></a><tt class="py-lineno">270</tt>  <tt class="py-line">        <tt class="py-keyword">return</tt> <tt class="py-name">int</tt><tt class="py-op">(</tt><tt class="py-name">self</tt><tt class="py-op">.</tt><tt class="py-name">types</tt><tt class="py-op">)</tt> </tt>
</div><a name="L271"></a><tt class="py-lineno">271</tt>  <tt class="py-line"> </tt>
<a name="AtomInfo.__getattr__"></a><div id="AtomInfo.__getattr__-def"><a name="L272"></a><tt class="py-lineno">272</tt> <a class="py-toggle" href="#" id="AtomInfo.__getattr__-toggle" onclick="return toggle('AtomInfo.__getattr__');">-</a><tt class="py-line">    <tt class="py-keyword">def</tt> <a class="py-def-name" href="p4vasp.cStructure.AtomInfo-class.html#__getattr__">__getattr__</a><tt class="py-op">(</tt><tt class="py-param">self</tt><tt class="py-op">,</tt><tt class="py-param">name</tt><tt class="py-op">)</tt><tt class="py-op">:</tt> </tt>
</div><div id="AtomInfo.__getattr__-collapsed" style="display:none;" pad="+++" indent="++++++++"></div><div id="AtomInfo.__getattr__-expanded"><a name="L273"></a><tt class="py-lineno">273</tt>  <tt class="py-line">        <tt class="py-keyword">if</tt> <tt id="link-142" class="py-name"><a title="p4vasp.applet.Applet.Applet.name" class="py-name" href="#" onclick="return doclink('link-142', 'name', 'link-31');">name</a></tt><tt class="py-op">==</tt><tt class="py-string">"atomspertype"</tt><tt class="py-op">:</tt> </tt>
<a name="L274"></a><tt class="py-lineno">274</tt>  <tt class="py-line">            <tt class="py-keyword">return</tt> <tt class="py-name">map</tt><tt class="py-op">(</tt><tt class="py-keyword">lambda</tt> <tt class="py-name">x</tt><tt class="py-op">:</tt><tt class="py-name">x</tt><tt class="py-op">.</tt><tt class="py-name">atomspertype</tt><tt class="py-op">,</tt><tt class="py-name">self</tt><tt class="py-op">)</tt> </tt>
<a name="L275"></a><tt class="py-lineno">275</tt>  <tt class="py-line">        <tt class="py-keyword">else</tt><tt class="py-op">:</tt> </tt>
<a name="L276"></a><tt class="py-lineno">276</tt>  <tt class="py-line">            <tt class="py-name">method</tt> <tt class="py-op">=</tt> <tt id="link-143" class="py-name"><a title="p4vasp.Structure.AtomInfo
p4vasp.cStructure.AtomInfo" class="py-name" href="#" onclick="return doclink('link-143', 'AtomInfo', 'link-84');">AtomInfo</a></tt><tt class="py-op">.</tt><tt id="link-144" class="py-name"><a title="p4vasp.cStructure.AtomInfo.__getmethods__
p4vasp.cStructure.AtomtypesRecord.__getmethods__
p4vasp.cStructure.Structure.__getmethods__" class="py-name" href="#" onclick="return doclink('link-144', '__getmethods__', 'link-38');">__getmethods__</a></tt><tt class="py-op">.</tt><tt id="link-145" class="py-name"><a title="p4vasp.ODPdom.AttributeList.get
p4vasp.ODPdom.NamedNodeMap.get
p4vasp.Property.Property.get
p4vasp.cStructure.Structure.get
p4vasp.cmatrix.Matrix.get
p4vasp.cmatrix.Vector.get
p4vasp.db.Query.get
p4vasp.matrix.Matrix.get
p4vasp.matrix.Vector.get
p4vasp.paint3d.Paint3DInterface.Paint3DRecorder.get" class="py-name" href="#" onclick="return doclink('link-145', 'get', 'link-35');">get</a></tt><tt class="py-op">(</tt><tt id="link-146" class="py-name"><a title="p4vasp.applet.Applet.Applet.name" class="py-name" href="#" onclick="return doclink('link-146', 'name', 'link-31');">name</a></tt><tt class="py-op">,</tt><tt class="py-name">None</tt><tt class="py-op">)</tt> </tt>
<a name="L277"></a><tt class="py-lineno">277</tt>  <tt class="py-line">            <tt class="py-keyword">if</tt> <tt class="py-name">method</tt><tt class="py-op">:</tt> <tt class="py-keyword">return</tt> <tt class="py-name">method</tt><tt class="py-op">(</tt><tt class="py-name">self</tt><tt class="py-op">.</tt><tt class="py-name">this</tt><tt class="py-op">)</tt> </tt>
<a name="L278"></a><tt class="py-lineno">278</tt>  <tt class="py-line">            <tt class="py-keyword">raise</tt> <tt class="py-name">AttributeError</tt><tt class="py-op">,</tt><tt id="link-147" class="py-name"><a title="p4vasp.applet.Applet.Applet.name" class="py-name" href="#" onclick="return doclink('link-147', 'name', 'link-31');">name</a></tt> </tt>
</div><a name="L279"></a><tt class="py-lineno">279</tt>  <tt class="py-line"> </tt>
<a name="AtomInfo.__getitem__"></a><div id="AtomInfo.__getitem__-def"><a name="L280"></a><tt class="py-lineno">280</tt> <a class="py-toggle" href="#" id="AtomInfo.__getitem__-toggle" onclick="return toggle('AtomInfo.__getitem__');">-</a><tt class="py-line">    <tt class="py-keyword">def</tt> <a class="py-def-name" href="p4vasp.cStructure.AtomInfo-class.html#__getitem__">__getitem__</a><tt class="py-op">(</tt><tt class="py-param">self</tt><tt class="py-op">,</tt><tt class="py-param">i</tt><tt class="py-op">)</tt><tt class="py-op">:</tt> </tt>
</div><div id="AtomInfo.__getitem__-collapsed" style="display:none;" pad="+++" indent="++++++++"></div><div id="AtomInfo.__getitem__-expanded"><a name="L281"></a><tt class="py-lineno">281</tt>  <tt class="py-line">        <tt class="py-keyword">return</tt> <tt class="py-name">self</tt><tt class="py-op">.</tt><tt id="link-148" class="py-name" targets="Method p4vasp.Array.Array.getRecord()=p4vasp.Array.Array-class.html#getRecord,Method p4vasp.Array.ArrayRecord.getRecord()=p4vasp.Array.ArrayRecord-class.html#getRecord,Method p4vasp.Structure.AtomInfo.getRecord()=p4vasp.Structure.AtomInfo-class.html#getRecord,Method p4vasp.Structure.AtomtypesArray.getRecord()=p4vasp.Structure.AtomtypesArray-class.html#getRecord,Method p4vasp.Structure.Structure.getRecord()=p4vasp.Structure.Structure-class.html#getRecord,Method p4vasp.cStructure.AtomInfo.getRecord()=p4vasp.cStructure.AtomInfo-class.html#getRecord,Method p4vasp.cStructure.Structure.getRecord()=p4vasp.cStructure.Structure-class.html#getRecord"><a title="p4vasp.Array.Array.getRecord
p4vasp.Array.ArrayRecord.getRecord
p4vasp.Structure.AtomInfo.getRecord
p4vasp.Structure.AtomtypesArray.getRecord
p4vasp.Structure.Structure.getRecord
p4vasp.cStructure.AtomInfo.getRecord
p4vasp.cStructure.Structure.getRecord" class="py-name" href="#" onclick="return doclink('link-148', 'getRecord', 'link-148');">getRecord</a></tt><tt class="py-op">(</tt><tt id="link-149" class="py-name"><a title="p4vasp.paint3d.OpenGLPaint3D.i" class="py-name" href="#" onclick="return doclink('link-149', 'i', 'link-51');">i</a></tt><tt class="py-op">)</tt> </tt>
</div><a name="AtomInfo.__setitem__"></a><div id="AtomInfo.__setitem__-def"><a name="L282"></a><tt class="py-lineno">282</tt> <a class="py-toggle" href="#" id="AtomInfo.__setitem__-toggle" onclick="return toggle('AtomInfo.__setitem__');">-</a><tt class="py-line">    <tt class="py-keyword">def</tt> <a class="py-def-name" href="p4vasp.cStructure.AtomInfo-class.html#__setitem__">__setitem__</a><tt class="py-op">(</tt><tt class="py-param">self</tt><tt class="py-op">,</tt><tt class="py-param">i</tt><tt class="py-op">,</tt><tt class="py-param">value</tt><tt class="py-op">)</tt><tt class="py-op">:</tt> </tt>
</div><div id="AtomInfo.__setitem__-collapsed" style="display:none;" pad="+++" indent="++++++++"></div><div id="AtomInfo.__setitem__-expanded"><a name="L283"></a><tt class="py-lineno">283</tt>  <tt class="py-line">        <tt class="py-name">self</tt><tt class="py-op">.</tt><tt id="link-150" class="py-name"><a title="p4vasp.Structure.AtomInfo.setRecord
p4vasp.cStructure.AtomInfo.setRecord" class="py-name" href="#" onclick="return doclink('link-150', 'setRecord', 'link-113');">setRecord</a></tt><tt class="py-op">(</tt><tt id="link-151" class="py-name"><a title="p4vasp.paint3d.OpenGLPaint3D.i" class="py-name" href="#" onclick="return doclink('link-151', 'i', 'link-51');">i</a></tt><tt class="py-op">,</tt><tt class="py-name">value</tt><tt class="py-op">)</tt> </tt>
</div><a name="L284"></a><tt class="py-lineno">284</tt>  <tt class="py-line"> </tt>
<a name="AtomInfo.readFromNode"></a><div id="AtomInfo.readFromNode-def"><a name="L285"></a><tt class="py-lineno">285</tt> <a class="py-toggle" href="#" id="AtomInfo.readFromNode-toggle" onclick="return toggle('AtomInfo.readFromNode');">-</a><tt class="py-line">    <tt class="py-keyword">def</tt> <a class="py-def-name" href="p4vasp.cStructure.AtomInfo-class.html#readFromNode">readFromNode</a><tt class="py-op">(</tt><tt class="py-param">self</tt><tt class="py-op">,</tt><tt class="py-param">elem</tt><tt class="py-op">)</tt><tt class="py-op">:</tt> </tt>
</div><div id="AtomInfo.readFromNode-collapsed" style="display:none;" pad="+++" indent="++++++++"></div><div id="AtomInfo.readFromNode-expanded"><a name="L286"></a><tt class="py-lineno">286</tt>  <tt class="py-line">        <tt class="py-docstring">"Read the *AtomInfo* from the xml element node."</tt> </tt>
<a name="L287"></a><tt class="py-lineno">287</tt>  <tt class="py-line">        <tt class="py-name">self</tt><tt class="py-op">.</tt><tt id="link-152" class="py-name"><a title="p4vasp.cStructure.AtomInfo.element" class="py-name" href="#" onclick="return doclink('link-152', 'element', 'link-78');">element</a></tt><tt class="py-op">=</tt><tt class="py-name">elem</tt> </tt>
<a name="L288"></a><tt class="py-lineno">288</tt>  <tt class="py-line">        <tt class="py-name">a</tt><tt class="py-op">=</tt><tt id="link-153" class="py-name"><a title="p4vasp" class="py-name" href="#" onclick="return doclink('link-153', 'p4vasp', 'link-0');">p4vasp</a></tt><tt class="py-op">.</tt><tt id="link-154" class="py-name"><a title="p4vasp.Structure
p4vasp.Structure.Structure
p4vasp.cStructure.Structure" class="py-name" href="#" onclick="return doclink('link-154', 'Structure', 'link-3');">Structure</a></tt><tt class="py-op">.</tt><tt id="link-155" class="py-name" targets="Class p4vasp.Structure.AtomtypesArray=p4vasp.Structure.AtomtypesArray-class.html"><a title="p4vasp.Structure.AtomtypesArray" class="py-name" href="#" onclick="return doclink('link-155', 'AtomtypesArray', 'link-155');">AtomtypesArray</a></tt><tt class="py-op">(</tt> </tt>
<a name="L289"></a><tt class="py-lineno">289</tt>  <tt class="py-line">          <tt id="link-156" class="py-name"><a title="p4vasp" class="py-name" href="#" onclick="return doclink('link-156', 'p4vasp', 'link-0');">p4vasp</a></tt><tt class="py-op">.</tt><tt id="link-157" class="py-name"><a title="p4vasp.util" class="py-name" href="#" onclick="return doclink('link-157', 'util', 'link-1');">util</a></tt><tt class="py-op">.</tt><tt id="link-158" class="py-name" targets="Function p4vasp.util.getChildrenByTagName()=p4vasp.util-module.html#getChildrenByTagName"><a title="p4vasp.util.getChildrenByTagName" class="py-name" href="#" onclick="return doclink('link-158', 'getChildrenByTagName', 'link-158');">getChildrenByTagName</a></tt><tt class="py-op">(</tt><tt class="py-name">elem</tt><tt class="py-op">,</tt><tt class="py-string">"array"</tt><tt class="py-op">,</tt><tt id="link-159" class="py-name"><a title="p4vasp.applet.Applet.Applet.name" class="py-name" href="#" onclick="return doclink('link-159', 'name', 'link-31');">name</a></tt><tt class="py-op">=</tt><tt class="py-string">"atomtypes"</tt><tt class="py-op">)</tt><tt class="py-op">[</tt><tt class="py-number">0</tt><tt class="py-op">]</tt><tt class="py-op">)</tt> </tt>
<a name="L290"></a><tt class="py-lineno">290</tt>  <tt class="py-line">        <tt class="py-name">self</tt><tt class="py-op">.</tt><tt id="link-160" class="py-name"><a title="p4vasp.Structure.AtomInfo.allocate
p4vasp.Structure.AtomtypesArray.allocate
p4vasp.cStructure.Structure.allocate" class="py-name" href="#" onclick="return doclink('link-160', 'allocate', 'link-109');">allocate</a></tt><tt class="py-op">(</tt><tt id="link-161" class="py-name"><a title="p4vasp.cStructure.Structure.len" class="py-name" href="#" onclick="return doclink('link-161', 'len', 'link-49');">len</a></tt><tt class="py-op">(</tt><tt class="py-name">a</tt><tt class="py-op">)</tt><tt class="py-op">)</tt> </tt>
<a name="L291"></a><tt class="py-lineno">291</tt>  <tt class="py-line">        <tt class="py-keyword">for</tt> <tt id="link-162" class="py-name"><a title="p4vasp.paint3d.OpenGLPaint3D.i" class="py-name" href="#" onclick="return doclink('link-162', 'i', 'link-51');">i</a></tt> <tt class="py-keyword">in</tt> <tt class="py-name">range</tt><tt class="py-op">(</tt><tt id="link-163" class="py-name"><a title="p4vasp.cStructure.Structure.len" class="py-name" href="#" onclick="return doclink('link-163', 'len', 'link-49');">len</a></tt><tt class="py-op">(</tt><tt class="py-name">a</tt><tt class="py-op">)</tt><tt class="py-op">)</tt><tt class="py-op">:</tt> </tt>
<a name="L292"></a><tt class="py-lineno">292</tt>  <tt class="py-line">            <tt class="py-name">self</tt><tt class="py-op">.</tt><tt id="link-164" class="py-name"><a title="p4vasp.Structure.AtomInfo.setRecord
p4vasp.cStructure.AtomInfo.setRecord" class="py-name" href="#" onclick="return doclink('link-164', 'setRecord', 'link-113');">setRecord</a></tt><tt class="py-op">(</tt><tt id="link-165" class="py-name"><a title="p4vasp.paint3d.OpenGLPaint3D.i" class="py-name" href="#" onclick="return doclink('link-165', 'i', 'link-51');">i</a></tt><tt class="py-op">,</tt><tt class="py-name">a</tt><tt class="py-op">.</tt><tt id="link-166" class="py-name"><a title="p4vasp.Array.Array.getRecord
p4vasp.Array.ArrayRecord.getRecord
p4vasp.Structure.AtomInfo.getRecord
p4vasp.Structure.AtomtypesArray.getRecord
p4vasp.Structure.Structure.getRecord
p4vasp.cStructure.AtomInfo.getRecord
p4vasp.cStructure.Structure.getRecord" class="py-name" href="#" onclick="return doclink('link-166', 'getRecord', 'link-148');">getRecord</a></tt><tt class="py-op">(</tt><tt id="link-167" class="py-name"><a title="p4vasp.paint3d.OpenGLPaint3D.i" class="py-name" href="#" onclick="return doclink('link-167', 'i', 'link-51');">i</a></tt><tt class="py-op">)</tt><tt class="py-op">)</tt> </tt>
</div><a name="L293"></a><tt class="py-lineno">293</tt>  <tt class="py-line"> </tt>
<a name="AtomInfo.setFieldContent"></a><div id="AtomInfo.setFieldContent-def"><a name="L294"></a><tt class="py-lineno">294</tt> <a class="py-toggle" href="#" id="AtomInfo.setFieldContent-toggle" onclick="return toggle('AtomInfo.setFieldContent');">-</a><tt class="py-line">    <tt class="py-keyword">def</tt> <a class="py-def-name" href="p4vasp.cStructure.AtomInfo-class.html#setFieldContent">setFieldContent</a><tt class="py-op">(</tt><tt class="py-param">self</tt><tt class="py-op">,</tt><tt class="py-param">field</tt><tt class="py-op">,</tt><tt class="py-param">l</tt><tt class="py-op">)</tt><tt class="py-op">:</tt> </tt>
</div><div id="AtomInfo.setFieldContent-collapsed" style="display:none;" pad="+++" indent="++++++++"></div><div id="AtomInfo.setFieldContent-expanded"><a name="L295"></a><tt class="py-lineno">295</tt>  <tt class="py-line">        <tt class="py-docstring">"""Set content of one *field* (specified by field name or index),</tt> </tt>
<a name="L296"></a><tt class="py-lineno">296</tt>  <tt class="py-line"><tt class="py-docstring">    *l* is the list of values. When the *len(l)* != *len(self)* ,</tt> </tt>
<a name="L297"></a><tt class="py-lineno">297</tt>  <tt class="py-line"><tt class="py-docstring">    then min(len(l),len(self)) values are set.</tt> </tt>
<a name="L298"></a><tt class="py-lineno">298</tt>  <tt class="py-line"><tt class="py-docstring">        """</tt> </tt>
<a name="L299"></a><tt class="py-lineno">299</tt>  <tt class="py-line">        <tt class="py-keyword">if</tt> <tt class="py-name">field</tt> <tt class="py-keyword">in</tt> <tt id="link-168" class="py-name"><a title="p4vasp.Structure.AtomtypesRecord
p4vasp.cStructure.AtomtypesRecord" class="py-name" href="#" onclick="return doclink('link-168', 'AtomtypesRecord', 'link-18');">AtomtypesRecord</a></tt><tt class="py-op">.</tt><tt id="link-169" class="py-name"><a title="p4vasp.cStructure.AtomtypesRecord._keys_" class="py-name" href="#" onclick="return doclink('link-169', '_keys_', 'link-14');">_keys_</a></tt><tt class="py-op">:</tt> </tt>
<a name="L300"></a><tt class="py-lineno">300</tt>  <tt class="py-line">            <tt class="py-keyword">for</tt> <tt id="link-170" class="py-name"><a title="p4vasp.paint3d.OpenGLPaint3D.i" class="py-name" href="#" onclick="return doclink('link-170', 'i', 'link-51');">i</a></tt> <tt class="py-keyword">in</tt> <tt class="py-name">range</tt><tt class="py-op">(</tt><tt class="py-number">0</tt><tt class="py-op">,</tt><tt class="py-name">min</tt><tt class="py-op">(</tt><tt id="link-171" class="py-name"><a title="p4vasp.cStructure.Structure.len" class="py-name" href="#" onclick="return doclink('link-171', 'len', 'link-49');">len</a></tt><tt class="py-op">(</tt><tt class="py-name">self</tt><tt class="py-op">)</tt><tt class="py-op">,</tt><tt id="link-172" class="py-name"><a title="p4vasp.cStructure.Structure.len" class="py-name" href="#" onclick="return doclink('link-172', 'len', 'link-49');">len</a></tt><tt class="py-op">(</tt><tt class="py-name">l</tt><tt class="py-op">)</tt><tt class="py-op">)</tt><tt class="py-op">)</tt><tt class="py-op">:</tt> </tt>
<a name="L301"></a><tt class="py-lineno">301</tt>  <tt class="py-line">                <tt class="py-name">self</tt><tt class="py-op">.</tt><tt id="link-173" class="py-name" targets="Module p4vasp.paint3d.data=p4vasp.paint3d.data-module.html"><a title="p4vasp.paint3d.data" class="py-name" href="#" onclick="return doclink('link-173', 'data', 'link-173');">data</a></tt><tt class="py-op">[</tt><tt id="link-174" class="py-name"><a title="p4vasp.paint3d.OpenGLPaint3D.i" class="py-name" href="#" onclick="return doclink('link-174', 'i', 'link-51');">i</a></tt><tt class="py-op">]</tt><tt class="py-op">[</tt><tt class="py-name">field</tt><tt class="py-op">]</tt> <tt class="py-op">=</tt> <tt class="py-name">l</tt><tt class="py-op">[</tt><tt id="link-175" class="py-name"><a title="p4vasp.paint3d.OpenGLPaint3D.i" class="py-name" href="#" onclick="return doclink('link-175', 'i', 'link-51');">i</a></tt><tt class="py-op">]</tt> </tt>
<a name="L302"></a><tt class="py-lineno">302</tt>  <tt class="py-line">        <tt class="py-keyword">else</tt><tt class="py-op">:</tt> </tt>
<a name="L303"></a><tt class="py-lineno">303</tt>  <tt class="py-line">            <tt class="py-keyword">raise</tt> <tt class="py-name">AttributeError</tt><tt class="py-op">,</tt><tt class="py-name">field</tt> </tt>
</div><a name="L304"></a><tt class="py-lineno">304</tt>  <tt class="py-line"> </tt>
<a name="AtomInfo.fillAttributesWithTable"></a><div id="AtomInfo.fillAttributesWithTable-def"><a name="L305"></a><tt class="py-lineno">305</tt> <a class="py-toggle" href="#" id="AtomInfo.fillAttributesWithTable-toggle" onclick="return toggle('AtomInfo.fillAttributesWithTable');">-</a><tt class="py-line">    <tt class="py-keyword">def</tt> <a class="py-def-name" href="p4vasp.cStructure.AtomInfo-class.html#fillAttributesWithTable">fillAttributesWithTable</a><tt class="py-op">(</tt><tt class="py-param">self</tt><tt class="py-op">,</tt><tt class="py-param">table</tt><tt class="py-op">)</tt><tt class="py-op">:</tt> </tt>
</div><div id="AtomInfo.fillAttributesWithTable-collapsed" style="display:none;" pad="+++" indent="++++++++"></div><div id="AtomInfo.fillAttributesWithTable-expanded"><a name="L306"></a><tt class="py-lineno">306</tt>  <tt class="py-line">        <tt class="py-docstring">"""</tt> </tt>
<a name="L307"></a><tt class="py-lineno">307</tt>  <tt class="py-line"><tt class="py-docstring">        Fills array with following attributes:</tt> </tt>
<a name="L308"></a><tt class="py-lineno">308</tt>  <tt class="py-line"><tt class="py-docstring"></tt> </tt>
<a name="L309"></a><tt class="py-lineno">309</tt>  <tt class="py-line"><tt class="py-docstring">          * mass</tt> </tt>
<a name="L310"></a><tt class="py-lineno">310</tt>  <tt class="py-line"><tt class="py-docstring"></tt> </tt>
<a name="L311"></a><tt class="py-lineno">311</tt>  <tt class="py-line"><tt class="py-docstring">          * radius</tt> </tt>
<a name="L312"></a><tt class="py-lineno">312</tt>  <tt class="py-line"><tt class="py-docstring"></tt> </tt>
<a name="L313"></a><tt class="py-lineno">313</tt>  <tt class="py-line"><tt class="py-docstring">          * covalent</tt> </tt>
<a name="L314"></a><tt class="py-lineno">314</tt>  <tt class="py-line"><tt class="py-docstring"></tt> </tt>
<a name="L315"></a><tt class="py-lineno">315</tt>  <tt class="py-line"><tt class="py-docstring">          * red</tt> </tt>
<a name="L316"></a><tt class="py-lineno">316</tt>  <tt class="py-line"><tt class="py-docstring"></tt> </tt>
<a name="L317"></a><tt class="py-lineno">317</tt>  <tt class="py-line"><tt class="py-docstring">          * green</tt> </tt>
<a name="L318"></a><tt class="py-lineno">318</tt>  <tt class="py-line"><tt class="py-docstring"></tt> </tt>
<a name="L319"></a><tt class="py-lineno">319</tt>  <tt class="py-line"><tt class="py-docstring">          * blue</tt> </tt>
<a name="L320"></a><tt class="py-lineno">320</tt>  <tt class="py-line"><tt class="py-docstring"></tt> </tt>
<a name="L321"></a><tt class="py-lineno">321</tt>  <tt class="py-line"><tt class="py-docstring">        Table must be an AtomInfo or AtomtypesArray and it must contain</tt> </tt>
<a name="L322"></a><tt class="py-lineno">322</tt>  <tt class="py-line"><tt class="py-docstring">        all those attributes.</tt> </tt>
<a name="L323"></a><tt class="py-lineno">323</tt>  <tt class="py-line"><tt class="py-docstring">        """</tt> </tt>
<a name="L324"></a><tt class="py-lineno">324</tt>  <tt class="py-line"> </tt>
<a name="L325"></a><tt class="py-lineno">325</tt>  <tt class="py-line">        <tt class="py-keyword">if</tt> <tt class="py-name">isinstance</tt><tt class="py-op">(</tt><tt class="py-name">table</tt><tt class="py-op">,</tt><tt class="py-name">cp4vasp</tt><tt class="py-op">.</tt><tt id="link-176" class="py-name"><a title="p4vasp.Structure.AtomInfo
p4vasp.cStructure.AtomInfo" class="py-name" href="#" onclick="return doclink('link-176', 'AtomInfo', 'link-84');">AtomInfo</a></tt><tt class="py-op">)</tt><tt class="py-op">:</tt> </tt>
<a name="L326"></a><tt class="py-lineno">326</tt>  <tt class="py-line">            <tt class="py-name">_cp4vasp</tt><tt class="py-op">.</tt><tt class="py-name">AtomInfo_fillAttributesWithTable</tt><tt class="py-op">(</tt><tt class="py-name">self</tt><tt class="py-op">.</tt><tt class="py-name">this</tt><tt class="py-op">,</tt><tt class="py-name">table</tt><tt class="py-op">)</tt> </tt>
<a name="L327"></a><tt class="py-lineno">327</tt>  <tt class="py-line">        <tt class="py-keyword">else</tt><tt class="py-op">:</tt> </tt>
<a name="L328"></a><tt class="py-lineno">328</tt>  <tt class="py-line">            <tt class="py-keyword">for</tt> <tt id="link-177" class="py-name"><a title="p4vasp.paint3d.OpenGLPaint3D.i" class="py-name" href="#" onclick="return doclink('link-177', 'i', 'link-51');">i</a></tt> <tt class="py-keyword">in</tt> <tt class="py-name">range</tt><tt class="py-op">(</tt><tt class="py-number">0</tt><tt class="py-op">,</tt><tt id="link-178" class="py-name"><a title="p4vasp.cStructure.Structure.len" class="py-name" href="#" onclick="return doclink('link-178', 'len', 'link-49');">len</a></tt><tt class="py-op">(</tt><tt class="py-name">self</tt><tt class="py-op">)</tt><tt class="py-op">)</tt><tt class="py-op">:</tt> </tt>
<a name="L329"></a><tt class="py-lineno">329</tt>  <tt class="py-line">                <tt class="py-name">dr</tt><tt class="py-op">=</tt><tt class="py-name">self</tt><tt class="py-op">[</tt><tt id="link-179" class="py-name"><a title="p4vasp.paint3d.OpenGLPaint3D.i" class="py-name" href="#" onclick="return doclink('link-179', 'i', 'link-51');">i</a></tt><tt class="py-op">]</tt> </tt>
<a name="L330"></a><tt class="py-lineno">330</tt>  <tt class="py-line">                <tt class="py-name">dt</tt><tt class="py-op">=</tt><tt class="py-name">table</tt><tt class="py-op">.</tt><tt id="link-180" class="py-name" targets="Method p4vasp.Structure.AtomInfo.getRecordForElementSafe()=p4vasp.Structure.AtomInfo-class.html#getRecordForElementSafe,Method p4vasp.Structure.AtomtypesArray.getRecordForElementSafe()=p4vasp.Structure.AtomtypesArray-class.html#getRecordForElementSafe"><a title="p4vasp.Structure.AtomInfo.getRecordForElementSafe
p4vasp.Structure.AtomtypesArray.getRecordForElementSafe" class="py-name" href="#" onclick="return doclink('link-180', 'getRecordForElementSafe', 'link-180');">getRecordForElementSafe</a></tt><tt class="py-op">(</tt><tt class="py-name">dr</tt><tt class="py-op">.</tt><tt id="link-181" class="py-name"><a title="p4vasp.cStructure.AtomInfo.element" class="py-name" href="#" onclick="return doclink('link-181', 'element', 'link-78');">element</a></tt><tt class="py-op">,</tt><tt id="link-182" class="py-name"><a title="p4vasp.paint3d.OpenGLPaint3D.i" class="py-name" href="#" onclick="return doclink('link-182', 'i', 'link-51');">i</a></tt><tt class="py-op">)</tt> </tt>
<a name="L331"></a><tt class="py-lineno">331</tt>  <tt class="py-line">                <tt class="py-name">dr</tt><tt class="py-op">.</tt><tt id="link-183" class="py-name" targets="Variable p4vasp.Structure.DefaultAtomtypesRecord.mass=p4vasp.Structure.DefaultAtomtypesRecord-class.html#mass"><a title="p4vasp.Structure.DefaultAtomtypesRecord.mass" class="py-name" href="#" onclick="return doclink('link-183', 'mass', 'link-183');">mass</a></tt>     <tt class="py-op">=</tt> <tt class="py-name">dt</tt><tt class="py-op">.</tt><tt id="link-184" class="py-name"><a title="p4vasp.Structure.DefaultAtomtypesRecord.mass" class="py-name" href="#" onclick="return doclink('link-184', 'mass', 'link-183');">mass</a></tt> </tt>
<a name="L332"></a><tt class="py-lineno">332</tt>  <tt class="py-line">                <tt class="py-name">dr</tt><tt class="py-op">.</tt><tt id="link-185" class="py-name" targets="Variable p4vasp.Structure.DefaultAtomtypesRecord.radius=p4vasp.Structure.DefaultAtomtypesRecord-class.html#radius"><a title="p4vasp.Structure.DefaultAtomtypesRecord.radius" class="py-name" href="#" onclick="return doclink('link-185', 'radius', 'link-185');">radius</a></tt>   <tt class="py-op">=</tt> <tt class="py-name">dt</tt><tt class="py-op">.</tt><tt id="link-186" class="py-name"><a title="p4vasp.Structure.DefaultAtomtypesRecord.radius" class="py-name" href="#" onclick="return doclink('link-186', 'radius', 'link-185');">radius</a></tt> </tt>
<a name="L333"></a><tt class="py-lineno">333</tt>  <tt class="py-line">                <tt class="py-name">dr</tt><tt class="py-op">.</tt><tt id="link-187" class="py-name" targets="Variable p4vasp.Structure.DefaultAtomtypesRecord.covalent=p4vasp.Structure.DefaultAtomtypesRecord-class.html#covalent"><a title="p4vasp.Structure.DefaultAtomtypesRecord.covalent" class="py-name" href="#" onclick="return doclink('link-187', 'covalent', 'link-187');">covalent</a></tt> <tt class="py-op">=</tt> <tt class="py-name">dt</tt><tt class="py-op">.</tt><tt id="link-188" class="py-name"><a title="p4vasp.Structure.DefaultAtomtypesRecord.covalent" class="py-name" href="#" onclick="return doclink('link-188', 'covalent', 'link-187');">covalent</a></tt> </tt>
<a name="L334"></a><tt class="py-lineno">334</tt>  <tt class="py-line">                <tt class="py-name">dr</tt><tt class="py-op">.</tt><tt id="link-189" class="py-name" targets="Variable p4vasp.GraphCanvas.red=p4vasp.GraphCanvas-module.html#red,Variable p4vasp.GraphPM.red=p4vasp.GraphPM-module.html#red,Variable p4vasp.Structure.DefaultAtomtypesRecord.red=p4vasp.Structure.DefaultAtomtypesRecord-class.html#red,Variable p4vasp.graph.red=p4vasp.graph-module.html#red"><a title="p4vasp.GraphCanvas.red
p4vasp.GraphPM.red
p4vasp.Structure.DefaultAtomtypesRecord.red
p4vasp.graph.red" class="py-name" href="#" onclick="return doclink('link-189', 'red', 'link-189');">red</a></tt>      <tt class="py-op">=</tt> <tt class="py-name">dt</tt><tt class="py-op">.</tt><tt id="link-190" class="py-name"><a title="p4vasp.GraphCanvas.red
p4vasp.GraphPM.red
p4vasp.Structure.DefaultAtomtypesRecord.red
p4vasp.graph.red" class="py-name" href="#" onclick="return doclink('link-190', 'red', 'link-189');">red</a></tt> </tt>
<a name="L335"></a><tt class="py-lineno">335</tt>  <tt class="py-line">                <tt class="py-name">dr</tt><tt class="py-op">.</tt><tt id="link-191" class="py-name" targets="Variable p4vasp.GraphCanvas.green=p4vasp.GraphCanvas-module.html#green,Variable p4vasp.GraphPM.green=p4vasp.GraphPM-module.html#green,Variable p4vasp.Structure.DefaultAtomtypesRecord.green=p4vasp.Structure.DefaultAtomtypesRecord-class.html#green,Variable p4vasp.graph.green=p4vasp.graph-module.html#green"><a title="p4vasp.GraphCanvas.green
p4vasp.GraphPM.green
p4vasp.Structure.DefaultAtomtypesRecord.green
p4vasp.graph.green" class="py-name" href="#" onclick="return doclink('link-191', 'green', 'link-191');">green</a></tt>    <tt class="py-op">=</tt> <tt class="py-name">dt</tt><tt class="py-op">.</tt><tt id="link-192" class="py-name"><a title="p4vasp.GraphCanvas.green
p4vasp.GraphPM.green
p4vasp.Structure.DefaultAtomtypesRecord.green
p4vasp.graph.green" class="py-name" href="#" onclick="return doclink('link-192', 'green', 'link-191');">green</a></tt> </tt>
<a name="L336"></a><tt class="py-lineno">336</tt>  <tt class="py-line">                <tt class="py-name">dr</tt><tt class="py-op">.</tt><tt id="link-193" class="py-name" targets="Variable p4vasp.GraphCanvas.blue=p4vasp.GraphCanvas-module.html#blue,Variable p4vasp.GraphPM.blue=p4vasp.GraphPM-module.html#blue,Variable p4vasp.Structure.DefaultAtomtypesRecord.blue=p4vasp.Structure.DefaultAtomtypesRecord-class.html#blue,Variable p4vasp.graph.blue=p4vasp.graph-module.html#blue"><a title="p4vasp.GraphCanvas.blue
p4vasp.GraphPM.blue
p4vasp.Structure.DefaultAtomtypesRecord.blue
p4vasp.graph.blue" class="py-name" href="#" onclick="return doclink('link-193', 'blue', 'link-193');">blue</a></tt>     <tt class="py-op">=</tt> <tt class="py-name">dt</tt><tt class="py-op">.</tt><tt id="link-194" class="py-name"><a title="p4vasp.GraphCanvas.blue
p4vasp.GraphPM.blue
p4vasp.Structure.DefaultAtomtypesRecord.blue
p4vasp.graph.blue" class="py-name" href="#" onclick="return doclink('link-194', 'blue', 'link-193');">blue</a></tt> </tt>
</div><a name="L337"></a><tt class="py-lineno">337</tt>  <tt class="py-line"> </tt>
<a name="AtomInfo.__del__"></a><div id="AtomInfo.__del__-def"><a name="L338"></a><tt class="py-lineno">338</tt> <a class="py-toggle" href="#" id="AtomInfo.__del__-toggle" onclick="return toggle('AtomInfo.__del__');">-</a><tt class="py-line">    <tt class="py-keyword">def</tt> <a class="py-def-name" href="p4vasp.cStructure.AtomInfo-class.html#__del__">__del__</a><tt class="py-op">(</tt><tt class="py-param">self</tt><tt class="py-op">,</tt> <tt class="py-param">destroy</tt><tt class="py-op">=</tt> <tt class="py-name">_cp4vasp</tt><tt class="py-op">.</tt><tt class="py-name">delete_AtomInfo</tt><tt class="py-op">)</tt><tt class="py-op">:</tt> </tt>
</div><div id="AtomInfo.__del__-collapsed" style="display:none;" pad="+++" indent="++++++++"></div><div id="AtomInfo.__del__-expanded"><a name="L339"></a><tt class="py-lineno">339</tt>  <tt class="py-line"><tt class="py-comment">#      print "del AtomInfo",self.this,self.thisown</tt> </tt>
<a name="L340"></a><tt class="py-lineno">340</tt>  <tt class="py-line">        <tt class="py-keyword">try</tt><tt class="py-op">:</tt> </tt>
<a name="L341"></a><tt class="py-lineno">341</tt>  <tt class="py-line">            <tt class="py-keyword">if</tt> <tt class="py-name">self</tt><tt class="py-op">.</tt><tt class="py-name">thisown</tt><tt class="py-op">:</tt> <tt id="link-195" class="py-name"><a title="p4vasp.GraphCanvas.Export.destroy
p4vasp.GraphCanvas_gtk1.Export.destroy
p4vasp.applet.Applet.Applet.destroy
p4vasp.applet.Applet.GraphApplet.destroy
p4vasp.applet.GraphWindowApplet.GraphWindowApplet.destroy
p4vasp.applet.STMWindowControlApplet.STMWindowControlApplet.destroy
p4vasp.applet.StructureApplet.StructureApplet.destroy
p4vasp.applet.StructureWindowControlApplet.StructureWindowControlApplet.destroy" class="py-name" href="#" onclick="return doclink('link-195', 'destroy', 'link-76');">destroy</a></tt><tt class="py-op">(</tt><tt class="py-name">self</tt><tt class="py-op">.</tt><tt class="py-name">this</tt><tt class="py-op">)</tt> </tt>
<a name="L342"></a><tt class="py-lineno">342</tt>  <tt class="py-line">        <tt class="py-keyword">except</tt><tt class="py-op">:</tt> <tt class="py-keyword">pass</tt> </tt>
</div></div><a name="L343"></a><tt class="py-lineno">343</tt>  <tt class="py-line"> </tt>
<a name="SelectiveArrayItemWrapper"></a><div id="SelectiveArrayItemWrapper-def"><a name="L344"></a><tt class="py-lineno">344</tt> <a class="py-toggle" href="#" id="SelectiveArrayItemWrapper-toggle" onclick="return toggle('SelectiveArrayItemWrapper');">-</a><tt class="py-line"><tt class="py-keyword">class</tt> <a class="py-def-name" href="p4vasp.cStructure.SelectiveArrayItemWrapper-class.html">SelectiveArrayItemWrapper</a><tt class="py-op">:</tt> </tt>
</div><div id="SelectiveArrayItemWrapper-collapsed" style="display:none;" pad="+++" indent="++++"></div><div id="SelectiveArrayItemWrapper-expanded"><a name="L345"></a><tt class="py-lineno">345</tt>  <tt class="py-line">    <tt class="py-docstring">"""Array wrapper needed for simulating Structure.selective.</tt> </tt>
<a name="L346"></a><tt class="py-lineno">346</tt>  <tt class="py-line"><tt class="py-docstring">  This simulates one item of SelectiveArrayWrapper (3d integer-valued vector)</tt> </tt>
<a name="L347"></a><tt class="py-lineno">347</tt>  <tt class="py-line"><tt class="py-docstring">    """</tt> </tt>
<a name="SelectiveArrayItemWrapper.__init__"></a><div id="SelectiveArrayItemWrapper.__init__-def"><a name="L348"></a><tt class="py-lineno">348</tt> <a class="py-toggle" href="#" id="SelectiveArrayItemWrapper.__init__-toggle" onclick="return toggle('SelectiveArrayItemWrapper.__init__');">-</a><tt class="py-line">    <tt class="py-keyword">def</tt> <a class="py-def-name" href="p4vasp.cStructure.SelectiveArrayItemWrapper-class.html#__init__">__init__</a><tt class="py-op">(</tt><tt class="py-param">self</tt><tt class="py-op">,</tt><tt class="py-param">s</tt><tt class="py-op">,</tt><tt class="py-param">n</tt><tt class="py-op">)</tt><tt class="py-op">:</tt> </tt>
</div><div id="SelectiveArrayItemWrapper.__init__-collapsed" style="display:none;" pad="+++" indent="++++++++"></div><div id="SelectiveArrayItemWrapper.__init__-expanded"><a name="L349"></a><tt class="py-lineno">349</tt>  <tt class="py-line">        <tt class="py-name">self</tt><tt class="py-op">.</tt><tt class="py-name">s</tt><tt class="py-op">=</tt><tt class="py-name">s</tt> </tt>
<a name="L350"></a><tt class="py-lineno">350</tt>  <tt class="py-line">        <tt class="py-name">self</tt><tt class="py-op">.</tt><tt id="link-196" class="py-name" targets="Variable p4vasp.cmatrix.Matrix.n=p4vasp.cmatrix.Matrix-class.html#n,Variable p4vasp.paint3d.OpenGLPaint3D.BasicOpenGLPaint3D.n=p4vasp.paint3d.OpenGLPaint3D.BasicOpenGLPaint3D-class.html#n"><a title="p4vasp.cmatrix.Matrix.n
p4vasp.paint3d.OpenGLPaint3D.BasicOpenGLPaint3D.n" class="py-name" href="#" onclick="return doclink('link-196', 'n', 'link-196');">n</a></tt><tt class="py-op">=</tt><tt id="link-197" class="py-name"><a title="p4vasp.cmatrix.Matrix.n
p4vasp.paint3d.OpenGLPaint3D.BasicOpenGLPaint3D.n" class="py-name" href="#" onclick="return doclink('link-197', 'n', 'link-196');">n</a></tt> </tt>
</div><a name="SelectiveArrayItemWrapper.__len__"></a><div id="SelectiveArrayItemWrapper.__len__-def"><a name="L351"></a><tt class="py-lineno">351</tt> <a class="py-toggle" href="#" id="SelectiveArrayItemWrapper.__len__-toggle" onclick="return toggle('SelectiveArrayItemWrapper.__len__');">-</a><tt class="py-line">    <tt class="py-keyword">def</tt> <a class="py-def-name" href="p4vasp.cStructure.SelectiveArrayItemWrapper-class.html#__len__">__len__</a><tt class="py-op">(</tt><tt class="py-param">self</tt><tt class="py-op">)</tt><tt class="py-op">:</tt> </tt>
</div><div id="SelectiveArrayItemWrapper.__len__-collapsed" style="display:none;" pad="+++" indent="++++++++"></div><div id="SelectiveArrayItemWrapper.__len__-expanded"><a name="L352"></a><tt class="py-lineno">352</tt>  <tt class="py-line">        <tt class="py-keyword">return</tt> <tt class="py-number">3</tt> </tt>
</div><a name="SelectiveArrayItemWrapper.__getitem__"></a><div id="SelectiveArrayItemWrapper.__getitem__-def"><a name="L353"></a><tt class="py-lineno">353</tt> <a class="py-toggle" href="#" id="SelectiveArrayItemWrapper.__getitem__-toggle" onclick="return toggle('SelectiveArrayItemWrapper.__getitem__');">-</a><tt class="py-line">    <tt class="py-keyword">def</tt> <a class="py-def-name" href="p4vasp.cStructure.SelectiveArrayItemWrapper-class.html#__getitem__">__getitem__</a><tt class="py-op">(</tt><tt class="py-param">self</tt><tt class="py-op">,</tt><tt class="py-param">i</tt><tt class="py-op">)</tt><tt class="py-op">:</tt> </tt>
</div><div id="SelectiveArrayItemWrapper.__getitem__-collapsed" style="display:none;" pad="+++" indent="++++++++"></div><div id="SelectiveArrayItemWrapper.__getitem__-expanded"><a name="L354"></a><tt class="py-lineno">354</tt>  <tt class="py-line">        <tt class="py-keyword">return</tt> <tt class="py-name">self</tt><tt class="py-op">.</tt><tt class="py-name">s</tt><tt class="py-op">.</tt><tt id="link-198" class="py-name" targets="Method p4vasp.cStructure.Structure.getSelectiveDOF()=p4vasp.cStructure.Structure-class.html#getSelectiveDOF"><a title="p4vasp.cStructure.Structure.getSelectiveDOF" class="py-name" href="#" onclick="return doclink('link-198', 'getSelectiveDOF', 'link-198');">getSelectiveDOF</a></tt><tt class="py-op">(</tt><tt class="py-name">self</tt><tt class="py-op">.</tt><tt id="link-199" class="py-name"><a title="p4vasp.cmatrix.Matrix.n
p4vasp.paint3d.OpenGLPaint3D.BasicOpenGLPaint3D.n" class="py-name" href="#" onclick="return doclink('link-199', 'n', 'link-196');">n</a></tt><tt class="py-op">*</tt><tt class="py-number">3</tt><tt class="py-op">+</tt><tt id="link-200" class="py-name"><a title="p4vasp.paint3d.OpenGLPaint3D.i" class="py-name" href="#" onclick="return doclink('link-200', 'i', 'link-51');">i</a></tt><tt class="py-op">)</tt> </tt>
</div><a name="SelectiveArrayItemWrapper.__setitem__"></a><div id="SelectiveArrayItemWrapper.__setitem__-def"><a name="L355"></a><tt class="py-lineno">355</tt> <a class="py-toggle" href="#" id="SelectiveArrayItemWrapper.__setitem__-toggle" onclick="return toggle('SelectiveArrayItemWrapper.__setitem__');">-</a><tt class="py-line">    <tt class="py-keyword">def</tt> <a class="py-def-name" href="p4vasp.cStructure.SelectiveArrayItemWrapper-class.html#__setitem__">__setitem__</a><tt class="py-op">(</tt><tt class="py-param">self</tt><tt class="py-op">,</tt><tt class="py-param">i</tt><tt class="py-op">,</tt><tt class="py-param">value</tt><tt class="py-op">)</tt><tt class="py-op">:</tt> </tt>
</div><div id="SelectiveArrayItemWrapper.__setitem__-collapsed" style="display:none;" pad="+++" indent="++++++++"></div><div id="SelectiveArrayItemWrapper.__setitem__-expanded"><a name="L356"></a><tt class="py-lineno">356</tt>  <tt class="py-line">        <tt class="py-name">self</tt><tt class="py-op">.</tt><tt class="py-name">s</tt><tt class="py-op">.</tt><tt id="link-201" class="py-name" targets="Method p4vasp.cStructure.Structure.setSelectiveDOF()=p4vasp.cStructure.Structure-class.html#setSelectiveDOF"><a title="p4vasp.cStructure.Structure.setSelectiveDOF" class="py-name" href="#" onclick="return doclink('link-201', 'setSelectiveDOF', 'link-201');">setSelectiveDOF</a></tt><tt class="py-op">(</tt><tt class="py-name">self</tt><tt class="py-op">.</tt><tt id="link-202" class="py-name"><a title="p4vasp.cmatrix.Matrix.n
p4vasp.paint3d.OpenGLPaint3D.BasicOpenGLPaint3D.n" class="py-name" href="#" onclick="return doclink('link-202', 'n', 'link-196');">n</a></tt><tt class="py-op">*</tt><tt class="py-number">3</tt><tt class="py-op">+</tt><tt class="py-number">1</tt><tt class="py-op">,</tt><tt class="py-name">value</tt><tt class="py-op">)</tt> </tt>
</div><a name="SelectiveArrayItemWrapper.__repr__"></a><div id="SelectiveArrayItemWrapper.__repr__-def"><a name="L357"></a><tt class="py-lineno">357</tt> <a class="py-toggle" href="#" id="SelectiveArrayItemWrapper.__repr__-toggle" onclick="return toggle('SelectiveArrayItemWrapper.__repr__');">-</a><tt class="py-line">    <tt class="py-keyword">def</tt> <a class="py-def-name" href="p4vasp.cStructure.SelectiveArrayItemWrapper-class.html#__repr__">__repr__</a><tt class="py-op">(</tt><tt class="py-param">self</tt><tt class="py-op">)</tt><tt class="py-op">:</tt> </tt>
</div><div id="SelectiveArrayItemWrapper.__repr__-collapsed" style="display:none;" pad="+++" indent="++++++++"></div><div id="SelectiveArrayItemWrapper.__repr__-expanded"><a name="L358"></a><tt class="py-lineno">358</tt>  <tt class="py-line">        <tt class="py-keyword">return</tt> <tt class="py-string">"[%d,%d,%d]"</tt><tt class="py-op">%</tt><tt class="py-op">(</tt><tt class="py-name">self</tt><tt class="py-op">[</tt><tt class="py-number">0</tt><tt class="py-op">]</tt><tt class="py-op">,</tt><tt class="py-name">self</tt><tt class="py-op">[</tt><tt class="py-number">1</tt><tt class="py-op">]</tt><tt class="py-op">,</tt><tt class="py-name">self</tt><tt class="py-op">[</tt><tt class="py-number">2</tt><tt class="py-op">]</tt><tt class="py-op">)</tt> </tt>
</div><a name="L359"></a><tt class="py-lineno">359</tt>  <tt class="py-line">    <tt id="link-203" class="py-name" targets="Method p4vasp.Array.Array.__str__()=p4vasp.Array.Array-class.html#__str__,Method p4vasp.Array.ArrayRecord.__str__()=p4vasp.Array.ArrayRecord-class.html#__str__,Method p4vasp.Array.VArray.__str__()=p4vasp.Array.VArray-class.html#__str__,Method p4vasp.Dictionary.Dictionary.__str__()=p4vasp.Dictionary.Dictionary-class.html#__str__,Method p4vasp.Dictionary.StructuredDictionary.__str__()=p4vasp.Dictionary.StructuredDictionary-class.html#__str__,Method p4vasp.FArray.FArray1D.__str__()=p4vasp.FArray.FArray1D-class.html#__str__,Method p4vasp.FArray.FArray2D.__str__()=p4vasp.FArray.FArray2D-class.html#__str__,Method p4vasp.ODPdom.CharacterData.__str__()=p4vasp.ODPdom.CharacterData-class.html#__str__,Method p4vasp.Selection.Selection.__str__()=p4vasp.Selection.Selection-class.html#__str__,Method p4vasp.Structure.AtomtypesArray.__str__()=p4vasp.Structure.AtomtypesArray-class.html#__str__,Method p4vasp.applet.AppletTree.AppletNode.__str__()=p4vasp.applet.AppletTree.AppletNode-class.html#__str__,Method p4vasp.applet.AppletTree.AppletTree.__str__()=p4vasp.applet.AppletTree.AppletTree-class.html#__str__,Method p4vasp.applet.AppletTree_old.AppletNode.__str__()=p4vasp.applet.AppletTree_old.AppletNode-class.html#__str__,Method p4vasp.applet.AppletTree_old.AppletTree.__str__()=p4vasp.applet.AppletTree_old.AppletTree-class.html#__str__,Method p4vasp.cStructure.AtomtypesRecord.__str__()=p4vasp.cStructure.AtomtypesRecord-class.html#__str__,Method p4vasp.cmatrix.Matrix.__str__()=p4vasp.cmatrix.Matrix-class.html#__str__,Method p4vasp.cmatrix.Vector.__str__()=p4vasp.cmatrix.Vector-class.html#__str__,Method p4vasp.matrix.Matrix.__str__()=p4vasp.matrix.Matrix-class.html#__str__,Method p4vasp.matrix.Vector.__str__()=p4vasp.matrix.Vector-class.html#__str__,Method p4vasp.paint3d.data.AmbientLight.__str__()=p4vasp.paint3d.data.AmbientLight-class.html#__str__,Method p4vasp.paint3d.data.Arrow.__str__()=p4vasp.paint3d.data.Arrow-class.html#__str__,Method p4vasp.paint3d.data.Background.__str__()=p4vasp.paint3d.data.Background-class.html#__str__,Method p4vasp.paint3d.data.ColorMaterial.__str__()=p4vasp.paint3d.data.ColorMaterial-class.html#__str__,Method p4vasp.paint3d.data.Cone.__str__()=p4vasp.paint3d.data.Cone-class.html#__str__,Method p4vasp.paint3d.data.Cylinder.__str__()=p4vasp.paint3d.data.Cylinder-class.html#__str__,Method p4vasp.paint3d.data.Frame.__str__()=p4vasp.paint3d.data.Frame-class.html#__str__,Method p4vasp.paint3d.data.Line.__str__()=p4vasp.paint3d.data.Line-class.html#__str__,Method p4vasp.paint3d.data.Mesh.__str__()=p4vasp.paint3d.data.Mesh-class.html#__str__,Method p4vasp.paint3d.data.OrthographicCamera.__str__()=p4vasp.paint3d.data.OrthographicCamera-class.html#__str__,Method p4vasp.paint3d.data.PerspectiveCamera.__str__()=p4vasp.paint3d.data.PerspectiveCamera-class.html#__str__,Method p4vasp.paint3d.data.PointLight.__str__()=p4vasp.paint3d.data.PointLight-class.html#__str__,Method p4vasp.paint3d.data.Sphere.__str__()=p4vasp.paint3d.data.Sphere-class.html#__str__,Method p4vasp.util.ParseException.__str__()=p4vasp.util.ParseException-class.html#__str__,Method p4vasp.util.UnknownType.__str__()=p4vasp.util.UnknownType-class.html#__str__,Method p4vasp.util.XMLParseException.__str__()=p4vasp.util.XMLParseException-class.html#__str__"><a title="p4vasp.Array.Array.__str__
p4vasp.Array.ArrayRecord.__str__
p4vasp.Array.VArray.__str__
p4vasp.Dictionary.Dictionary.__str__
p4vasp.Dictionary.StructuredDictionary.__str__
p4vasp.FArray.FArray1D.__str__
p4vasp.FArray.FArray2D.__str__
p4vasp.ODPdom.CharacterData.__str__
p4vasp.Selection.Selection.__str__
p4vasp.Structure.AtomtypesArray.__str__
p4vasp.applet.AppletTree.AppletNode.__str__
p4vasp.applet.AppletTree.AppletTree.__str__
p4vasp.applet.AppletTree_old.AppletNode.__str__
p4vasp.applet.AppletTree_old.AppletTree.__str__
p4vasp.cStructure.AtomtypesRecord.__str__
p4vasp.cmatrix.Matrix.__str__
p4vasp.cmatrix.Vector.__str__
p4vasp.matrix.Matrix.__str__
p4vasp.matrix.Vector.__str__
p4vasp.paint3d.data.AmbientLight.__str__
p4vasp.paint3d.data.Arrow.__str__
p4vasp.paint3d.data.Background.__str__
p4vasp.paint3d.data.ColorMaterial.__str__
p4vasp.paint3d.data.Cone.__str__
p4vasp.paint3d.data.Cylinder.__str__
p4vasp.paint3d.data.Frame.__str__
p4vasp.paint3d.data.Line.__str__
p4vasp.paint3d.data.Mesh.__str__
p4vasp.paint3d.data.OrthographicCamera.__str__
p4vasp.paint3d.data.PerspectiveCamera.__str__
p4vasp.paint3d.data.PointLight.__str__
p4vasp.paint3d.data.Sphere.__str__
p4vasp.util.ParseException.__str__
p4vasp.util.UnknownType.__str__
p4vasp.util.XMLParseException.__str__" class="py-name" href="#" onclick="return doclink('link-203', '__str__', 'link-203');">__str__</a></tt><tt class="py-op">=</tt><tt id="link-204" class="py-name" targets="Method p4vasp.Array.ArrayRecord.__repr__()=p4vasp.Array.ArrayRecord-class.html#__repr__,Method p4vasp.FArray.FArray1D.__repr__()=p4vasp.FArray.FArray1D-class.html#__repr__,Method p4vasp.FArray.FArray2D.__repr__()=p4vasp.FArray.FArray2D-class.html#__repr__,Method p4vasp.ODPdom.CharacterData.__repr__()=p4vasp.ODPdom.CharacterData-class.html#__repr__,Method p4vasp.ODPdom.Element.__repr__()=p4vasp.ODPdom.Element-class.html#__repr__,Method p4vasp.cStructure.AtomInfo.__repr__()=p4vasp.cStructure.AtomInfo-class.html#__repr__,Method p4vasp.cStructure.AtomtypesRecord.__repr__()=p4vasp.cStructure.AtomtypesRecord-class.html#__repr__,Method p4vasp.cStructure.SelectiveArrayItemWrapper.__repr__()=p4vasp.cStructure.SelectiveArrayItemWrapper-class.html#__repr__,Method p4vasp.cStructure.SelectiveArrayWrapper.__repr__()=p4vasp.cStructure.SelectiveArrayWrapper-class.html#__repr__,Method p4vasp.cStructure.Structure.__repr__()=p4vasp.cStructure.Structure-class.html#__repr__,Method p4vasp.cmatrix.Matrix.__repr__()=p4vasp.cmatrix.Matrix-class.html#__repr__,Method p4vasp.cmatrix.Vector.__repr__()=p4vasp.cmatrix.Vector-class.html#__repr__,Method p4vasp.matrix.Matrix.__repr__()=p4vasp.matrix.Matrix-class.html#__repr__,Method p4vasp.matrix.Vector.__repr__()=p4vasp.matrix.Vector-class.html#__repr__"><a title="p4vasp.Array.ArrayRecord.__repr__
p4vasp.FArray.FArray1D.__repr__
p4vasp.FArray.FArray2D.__repr__
p4vasp.ODPdom.CharacterData.__repr__
p4vasp.ODPdom.Element.__repr__
p4vasp.cStructure.AtomInfo.__repr__
p4vasp.cStructure.AtomtypesRecord.__repr__
p4vasp.cStructure.SelectiveArrayItemWrapper.__repr__
p4vasp.cStructure.SelectiveArrayWrapper.__repr__
p4vasp.cStructure.Structure.__repr__
p4vasp.cmatrix.Matrix.__repr__
p4vasp.cmatrix.Vector.__repr__
p4vasp.matrix.Matrix.__repr__
p4vasp.matrix.Vector.__repr__" class="py-name" href="#" onclick="return doclink('link-204', '__repr__', 'link-204');">__repr__</a></tt> </tt>
</div><a name="L360"></a><tt class="py-lineno">360</tt>  <tt class="py-line"> </tt>
<a name="SelectiveArrayWrapper"></a><div id="SelectiveArrayWrapper-def"><a name="L361"></a><tt class="py-lineno">361</tt> <a class="py-toggle" href="#" id="SelectiveArrayWrapper-toggle" onclick="return toggle('SelectiveArrayWrapper');">-</a><tt class="py-line"><tt class="py-keyword">class</tt> <a class="py-def-name" href="p4vasp.cStructure.SelectiveArrayWrapper-class.html">SelectiveArrayWrapper</a><tt class="py-op">:</tt> </tt>
</div><div id="SelectiveArrayWrapper-collapsed" style="display:none;" pad="+++" indent="++++"></div><div id="SelectiveArrayWrapper-expanded"><a name="L362"></a><tt class="py-lineno">362</tt>  <tt class="py-line">    <tt class="py-docstring">"""Array wrapper needed for simulating Structure.selective</tt> </tt>
<a name="L363"></a><tt class="py-lineno">363</tt>  <tt class="py-line"><tt class="py-docstring">  This simulates array of 3d integer-valued vectors.</tt> </tt>
<a name="L364"></a><tt class="py-lineno">364</tt>  <tt class="py-line"><tt class="py-docstring">    """</tt> </tt>
<a name="L365"></a><tt class="py-lineno">365</tt>  <tt class="py-line"> </tt>
<a name="SelectiveArrayWrapper.__init__"></a><div id="SelectiveArrayWrapper.__init__-def"><a name="L366"></a><tt class="py-lineno">366</tt> <a class="py-toggle" href="#" id="SelectiveArrayWrapper.__init__-toggle" onclick="return toggle('SelectiveArrayWrapper.__init__');">-</a><tt class="py-line">    <tt class="py-keyword">def</tt> <a class="py-def-name" href="p4vasp.cStructure.SelectiveArrayWrapper-class.html#__init__">__init__</a><tt class="py-op">(</tt><tt class="py-param">self</tt><tt class="py-op">,</tt><tt class="py-param">s</tt><tt class="py-op">)</tt><tt class="py-op">:</tt> </tt>
</div><div id="SelectiveArrayWrapper.__init__-collapsed" style="display:none;" pad="+++" indent="++++++++"></div><div id="SelectiveArrayWrapper.__init__-expanded"><a name="L367"></a><tt class="py-lineno">367</tt>  <tt class="py-line">        <tt class="py-name">self</tt><tt class="py-op">.</tt><tt class="py-name">s</tt><tt class="py-op">=</tt><tt class="py-name">s</tt> </tt>
</div><a name="SelectiveArrayWrapper.__len__"></a><div id="SelectiveArrayWrapper.__len__-def"><a name="L368"></a><tt class="py-lineno">368</tt> <a class="py-toggle" href="#" id="SelectiveArrayWrapper.__len__-toggle" onclick="return toggle('SelectiveArrayWrapper.__len__');">-</a><tt class="py-line">    <tt class="py-keyword">def</tt> <a class="py-def-name" href="p4vasp.cStructure.SelectiveArrayWrapper-class.html#__len__">__len__</a><tt class="py-op">(</tt><tt class="py-param">self</tt><tt class="py-op">)</tt><tt class="py-op">:</tt> </tt>
</div><div id="SelectiveArrayWrapper.__len__-collapsed" style="display:none;" pad="+++" indent="++++++++"></div><div id="SelectiveArrayWrapper.__len__-expanded"><a name="L369"></a><tt class="py-lineno">369</tt>  <tt class="py-line">        <tt class="py-keyword">return</tt> <tt id="link-205" class="py-name"><a title="p4vasp.cStructure.Structure.len" class="py-name" href="#" onclick="return doclink('link-205', 'len', 'link-49');">len</a></tt><tt class="py-op">(</tt><tt class="py-name">self</tt><tt class="py-op">.</tt><tt class="py-name">s</tt><tt class="py-op">)</tt> </tt>
</div><a name="SelectiveArrayWrapper.__getitem__"></a><div id="SelectiveArrayWrapper.__getitem__-def"><a name="L370"></a><tt class="py-lineno">370</tt> <a class="py-toggle" href="#" id="SelectiveArrayWrapper.__getitem__-toggle" onclick="return toggle('SelectiveArrayWrapper.__getitem__');">-</a><tt class="py-line">    <tt class="py-keyword">def</tt> <a class="py-def-name" href="p4vasp.cStructure.SelectiveArrayWrapper-class.html#__getitem__">__getitem__</a><tt class="py-op">(</tt><tt class="py-param">self</tt><tt class="py-op">,</tt><tt class="py-param">i</tt><tt class="py-op">)</tt><tt class="py-op">:</tt> </tt>
</div><div id="SelectiveArrayWrapper.__getitem__-collapsed" style="display:none;" pad="+++" indent="++++++++"></div><div id="SelectiveArrayWrapper.__getitem__-expanded"><a name="L371"></a><tt class="py-lineno">371</tt>  <tt class="py-line">        <tt class="py-keyword">return</tt> <tt id="link-206" class="py-name" targets="Class p4vasp.cStructure.SelectiveArrayItemWrapper=p4vasp.cStructure.SelectiveArrayItemWrapper-class.html"><a title="p4vasp.cStructure.SelectiveArrayItemWrapper" class="py-name" href="#" onclick="return doclink('link-206', 'SelectiveArrayItemWrapper', 'link-206');">SelectiveArrayItemWrapper</a></tt><tt class="py-op">(</tt><tt class="py-name">self</tt><tt class="py-op">.</tt><tt class="py-name">s</tt><tt class="py-op">,</tt><tt id="link-207" class="py-name"><a title="p4vasp.paint3d.OpenGLPaint3D.i" class="py-name" href="#" onclick="return doclink('link-207', 'i', 'link-51');">i</a></tt><tt class="py-op">)</tt> </tt>
</div><a name="SelectiveArrayWrapper.__setitem__"></a><div id="SelectiveArrayWrapper.__setitem__-def"><a name="L372"></a><tt class="py-lineno">372</tt> <a class="py-toggle" href="#" id="SelectiveArrayWrapper.__setitem__-toggle" onclick="return toggle('SelectiveArrayWrapper.__setitem__');">-</a><tt class="py-line">    <tt class="py-keyword">def</tt> <a class="py-def-name" href="p4vasp.cStructure.SelectiveArrayWrapper-class.html#__setitem__">__setitem__</a><tt class="py-op">(</tt><tt class="py-param">self</tt><tt class="py-op">,</tt><tt class="py-param">i</tt><tt class="py-op">,</tt><tt class="py-param">v</tt><tt class="py-op">)</tt><tt class="py-op">:</tt> </tt>
</div><div id="SelectiveArrayWrapper.__setitem__-collapsed" style="display:none;" pad="+++" indent="++++++++"></div><div id="SelectiveArrayWrapper.__setitem__-expanded"><a name="L373"></a><tt class="py-lineno">373</tt>  <tt class="py-line">        <tt class="py-keyword">if</tt> <tt id="link-208" class="py-name"><a title="p4vasp.cStructure.Structure.len" class="py-name" href="#" onclick="return doclink('link-208', 'len', 'link-49');">len</a></tt><tt class="py-op">(</tt><tt class="py-name">v</tt><tt class="py-op">)</tt><tt class="py-op">&gt;</tt><tt class="py-number">3</tt><tt class="py-op">:</tt> </tt>
<a name="L374"></a><tt class="py-lineno">374</tt>  <tt class="py-line">            <tt class="py-keyword">print</tt> <tt class="py-string">"Warning: len(v)=%d in SelectiveArrayWrapper.__setitem__"</tt><tt class="py-op">%</tt><tt id="link-209" class="py-name"><a title="p4vasp.cStructure.Structure.len" class="py-name" href="#" onclick="return doclink('link-209', 'len', 'link-49');">len</a></tt><tt class="py-op">(</tt><tt class="py-name">v</tt><tt class="py-op">)</tt> </tt>
<a name="L375"></a><tt class="py-lineno">375</tt>  <tt class="py-line">        <tt class="py-name">s</tt><tt class="py-op">=</tt><tt class="py-name">self</tt><tt class="py-op">.</tt><tt class="py-name">s</tt> </tt>
<a name="L376"></a><tt class="py-lineno">376</tt>  <tt class="py-line">        <tt class="py-name">s</tt><tt class="py-op">.</tt><tt id="link-210" class="py-name"><a title="p4vasp.cStructure.Structure.setSelectiveDOF" class="py-name" href="#" onclick="return doclink('link-210', 'setSelectiveDOF', 'link-201');">setSelectiveDOF</a></tt><tt class="py-op">(</tt><tt class="py-number">3</tt><tt class="py-op">*</tt><tt id="link-211" class="py-name"><a title="p4vasp.paint3d.OpenGLPaint3D.i" class="py-name" href="#" onclick="return doclink('link-211', 'i', 'link-51');">i</a></tt><tt class="py-op">+</tt><tt class="py-number">0</tt><tt class="py-op">,</tt><tt class="py-name">v</tt><tt class="py-op">[</tt><tt class="py-number">0</tt><tt class="py-op">]</tt><tt class="py-op">)</tt> </tt>
<a name="L377"></a><tt class="py-lineno">377</tt>  <tt class="py-line">        <tt class="py-name">s</tt><tt class="py-op">.</tt><tt id="link-212" class="py-name"><a title="p4vasp.cStructure.Structure.setSelectiveDOF" class="py-name" href="#" onclick="return doclink('link-212', 'setSelectiveDOF', 'link-201');">setSelectiveDOF</a></tt><tt class="py-op">(</tt><tt class="py-number">3</tt><tt class="py-op">*</tt><tt id="link-213" class="py-name"><a title="p4vasp.paint3d.OpenGLPaint3D.i" class="py-name" href="#" onclick="return doclink('link-213', 'i', 'link-51');">i</a></tt><tt class="py-op">+</tt><tt class="py-number">1</tt><tt class="py-op">,</tt><tt class="py-name">v</tt><tt class="py-op">[</tt><tt class="py-number">1</tt><tt class="py-op">]</tt><tt class="py-op">)</tt> </tt>
<a name="L378"></a><tt class="py-lineno">378</tt>  <tt class="py-line">        <tt class="py-name">s</tt><tt class="py-op">.</tt><tt id="link-214" class="py-name"><a title="p4vasp.cStructure.Structure.setSelectiveDOF" class="py-name" href="#" onclick="return doclink('link-214', 'setSelectiveDOF', 'link-201');">setSelectiveDOF</a></tt><tt class="py-op">(</tt><tt class="py-number">3</tt><tt class="py-op">*</tt><tt id="link-215" class="py-name"><a title="p4vasp.paint3d.OpenGLPaint3D.i" class="py-name" href="#" onclick="return doclink('link-215', 'i', 'link-51');">i</a></tt><tt class="py-op">+</tt><tt class="py-number">2</tt><tt class="py-op">,</tt><tt class="py-name">v</tt><tt class="py-op">[</tt><tt class="py-number">2</tt><tt class="py-op">]</tt><tt class="py-op">)</tt> </tt>
</div><a name="SelectiveArrayWrapper.__repr__"></a><div id="SelectiveArrayWrapper.__repr__-def"><a name="L379"></a><tt class="py-lineno">379</tt> <a class="py-toggle" href="#" id="SelectiveArrayWrapper.__repr__-toggle" onclick="return toggle('SelectiveArrayWrapper.__repr__');">-</a><tt class="py-line">    <tt class="py-keyword">def</tt> <a class="py-def-name" href="p4vasp.cStructure.SelectiveArrayWrapper-class.html#__repr__">__repr__</a><tt class="py-op">(</tt><tt class="py-param">self</tt><tt class="py-op">)</tt><tt class="py-op">:</tt> </tt>
</div><div id="SelectiveArrayWrapper.__repr__-collapsed" style="display:none;" pad="+++" indent="++++++++"></div><div id="SelectiveArrayWrapper.__repr__-expanded"><a name="L380"></a><tt class="py-lineno">380</tt>  <tt class="py-line">        <tt class="py-name">s</tt><tt class="py-op">=</tt><tt class="py-string">"[\n"</tt> </tt>
<a name="L381"></a><tt class="py-lineno">381</tt>  <tt class="py-line">        <tt class="py-keyword">for</tt> <tt id="link-216" class="py-name"><a title="p4vasp.paint3d.OpenGLPaint3D.i" class="py-name" href="#" onclick="return doclink('link-216', 'i', 'link-51');">i</a></tt> <tt class="py-keyword">in</tt> <tt class="py-name">range</tt><tt class="py-op">(</tt><tt id="link-217" class="py-name"><a title="p4vasp.cStructure.Structure.len" class="py-name" href="#" onclick="return doclink('link-217', 'len', 'link-49');">len</a></tt><tt class="py-op">(</tt><tt class="py-name">self</tt><tt class="py-op">)</tt><tt class="py-op">)</tt><tt class="py-op">:</tt> </tt>
<a name="L382"></a><tt class="py-lineno">382</tt>  <tt class="py-line">            <tt class="py-name">s</tt><tt class="py-op">+=</tt><tt class="py-string">"  "</tt><tt class="py-op">+</tt><tt class="py-name">repr</tt><tt class="py-op">(</tt><tt class="py-name">self</tt><tt class="py-op">[</tt><tt id="link-218" class="py-name"><a title="p4vasp.paint3d.OpenGLPaint3D.i" class="py-name" href="#" onclick="return doclink('link-218', 'i', 'link-51');">i</a></tt><tt class="py-op">]</tt><tt class="py-op">)</tt><tt class="py-op">+</tt><tt class="py-string">",\n"</tt> </tt>
<a name="L383"></a><tt class="py-lineno">383</tt>  <tt class="py-line">        <tt class="py-name">s</tt><tt class="py-op">+=</tt><tt class="py-string">"]\n"</tt> </tt>
<a name="L384"></a><tt class="py-lineno">384</tt>  <tt class="py-line">        <tt class="py-keyword">return</tt> <tt class="py-name">s</tt> </tt>
</div><a name="L385"></a><tt class="py-lineno">385</tt>  <tt class="py-line">    <tt id="link-219" class="py-name"><a title="p4vasp.Array.Array.__str__
p4vasp.Array.ArrayRecord.__str__
p4vasp.Array.VArray.__str__
p4vasp.Dictionary.Dictionary.__str__
p4vasp.Dictionary.StructuredDictionary.__str__
p4vasp.FArray.FArray1D.__str__
p4vasp.FArray.FArray2D.__str__
p4vasp.ODPdom.CharacterData.__str__
p4vasp.Selection.Selection.__str__
p4vasp.Structure.AtomtypesArray.__str__
p4vasp.applet.AppletTree.AppletNode.__str__
p4vasp.applet.AppletTree.AppletTree.__str__
p4vasp.applet.AppletTree_old.AppletNode.__str__
p4vasp.applet.AppletTree_old.AppletTree.__str__
p4vasp.cStructure.AtomtypesRecord.__str__
p4vasp.cmatrix.Matrix.__str__
p4vasp.cmatrix.Vector.__str__
p4vasp.matrix.Matrix.__str__
p4vasp.matrix.Vector.__str__
p4vasp.paint3d.data.AmbientLight.__str__
p4vasp.paint3d.data.Arrow.__str__
p4vasp.paint3d.data.Background.__str__
p4vasp.paint3d.data.ColorMaterial.__str__
p4vasp.paint3d.data.Cone.__str__
p4vasp.paint3d.data.Cylinder.__str__
p4vasp.paint3d.data.Frame.__str__
p4vasp.paint3d.data.Line.__str__
p4vasp.paint3d.data.Mesh.__str__
p4vasp.paint3d.data.OrthographicCamera.__str__
p4vasp.paint3d.data.PerspectiveCamera.__str__
p4vasp.paint3d.data.PointLight.__str__
p4vasp.paint3d.data.Sphere.__str__
p4vasp.util.ParseException.__str__
p4vasp.util.UnknownType.__str__
p4vasp.util.XMLParseException.__str__" class="py-name" href="#" onclick="return doclink('link-219', '__str__', 'link-203');">__str__</a></tt><tt class="py-op">=</tt><tt id="link-220" class="py-name"><a title="p4vasp.Array.ArrayRecord.__repr__
p4vasp.FArray.FArray1D.__repr__
p4vasp.FArray.FArray2D.__repr__
p4vasp.ODPdom.CharacterData.__repr__
p4vasp.ODPdom.Element.__repr__
p4vasp.cStructure.AtomInfo.__repr__
p4vasp.cStructure.AtomtypesRecord.__repr__
p4vasp.cStructure.SelectiveArrayItemWrapper.__repr__
p4vasp.cStructure.SelectiveArrayWrapper.__repr__
p4vasp.cStructure.Structure.__repr__
p4vasp.cmatrix.Matrix.__repr__
p4vasp.cmatrix.Vector.__repr__
p4vasp.matrix.Matrix.__repr__
p4vasp.matrix.Vector.__repr__" class="py-name" href="#" onclick="return doclink('link-220', '__repr__', 'link-204');">__repr__</a></tt> </tt>
</div><a name="L386"></a><tt class="py-lineno">386</tt>  <tt class="py-line"> </tt>
<a name="L387"></a><tt class="py-lineno">387</tt>  <tt class="py-line"> </tt>
<a name="Structure"></a><div id="Structure-def"><a name="L388"></a><tt class="py-lineno">388</tt> <a class="py-toggle" href="#" id="Structure-toggle" onclick="return toggle('Structure');">-</a><tt class="py-line"><tt class="py-keyword">class</tt> <a class="py-def-name" href="p4vasp.cStructure.Structure-class.html">Structure</a><tt class="py-op">(</tt><tt class="py-base-class">p4vasp</tt><tt class="py-op">.</tt><tt class="py-base-class">Structure</tt><tt class="py-op">.</tt><tt class="py-base-class">Structure</tt><tt class="py-op">)</tt><tt class="py-op">:</tt> </tt>
</div><div id="Structure-collapsed" style="display:none;" pad="+++" indent="++++"></div><div id="Structure-expanded"><a name="Structure.__init__"></a><div id="Structure.__init__-def"><a name="L389"></a><tt class="py-lineno">389</tt> <a class="py-toggle" href="#" id="Structure.__init__-toggle" onclick="return toggle('Structure.__init__');">-</a><tt class="py-line">    <tt class="py-keyword">def</tt> <a class="py-def-name" href="p4vasp.cStructure.Structure-class.html#__init__">__init__</a><tt class="py-op">(</tt><tt class="py-param">self</tt><tt class="py-op">,</tt><tt class="py-param">init</tt><tt class="py-op">=</tt><tt class="py-name">None</tt><tt class="py-op">,</tt><tt class="py-param">pointer</tt><tt class="py-op">=</tt><tt class="py-name">None</tt><tt class="py-op">)</tt><tt class="py-op">:</tt> </tt>
</div><div id="Structure.__init__-collapsed" style="display:none;" pad="+++" indent="++++++++"></div><div id="Structure.__init__-expanded"><a name="L390"></a><tt class="py-lineno">390</tt>  <tt class="py-line">        <tt class="py-keyword">if</tt> <tt class="py-name">isinstance</tt><tt class="py-op">(</tt><tt id="link-221" class="py-name"><a title="p4vasp.db.P4VMixin.init
p4vasp.db.UserManagementMixin.init" class="py-name" href="#" onclick="return doclink('link-221', 'init', 'link-15');">init</a></tt><tt class="py-op">,</tt><tt id="link-222" class="py-name"><a title="p4vasp" class="py-name" href="#" onclick="return doclink('link-222', 'p4vasp', 'link-0');">p4vasp</a></tt><tt class="py-op">.</tt><tt id="link-223" class="py-name"><a title="p4vasp.Structure
p4vasp.Structure.Structure
p4vasp.cStructure.Structure" class="py-name" href="#" onclick="return doclink('link-223', 'Structure', 'link-3');">Structure</a></tt><tt class="py-op">.</tt><tt id="link-224" class="py-name"><a title="p4vasp.Structure
p4vasp.Structure.Structure
p4vasp.cStructure.Structure" class="py-name" href="#" onclick="return doclink('link-224', 'Structure', 'link-3');">Structure</a></tt><tt class="py-op">)</tt><tt class="py-op">:</tt> </tt>
<a name="L391"></a><tt class="py-lineno">391</tt>  <tt class="py-line">            <tt class="py-name">self</tt><tt class="py-op">.</tt><tt class="py-name">this</tt>    <tt class="py-op">=</tt> <tt id="link-225" class="py-name"><a title="p4vasp.cStructure.extractPointer" class="py-name" href="#" onclick="return doclink('link-225', 'extractPointer', 'link-19');">extractPointer</a></tt><tt class="py-op">(</tt><tt class="py-name">_cp4vasp</tt><tt class="py-op">.</tt><tt class="py-name">new_Structure</tt><tt class="py-op">(</tt><tt class="py-op">)</tt><tt class="py-op">)</tt> </tt>
<a name="L392"></a><tt class="py-lineno">392</tt>  <tt class="py-line">            <tt class="py-name">self</tt><tt class="py-op">.</tt><tt class="py-name">thisown</tt> <tt class="py-op">=</tt> <tt class="py-number">1</tt> </tt>
<a name="L393"></a><tt class="py-lineno">393</tt>  <tt class="py-line">            <tt class="py-name">self</tt><tt class="py-op">.</tt><tt id="link-226" class="py-name" targets="Method p4vasp.Structure.Structure.setStructure()=p4vasp.Structure.Structure-class.html#setStructure,Method p4vasp.StructureWindow.StructureWindow.setStructure()=p4vasp.StructureWindow.StructureWindow-class.html#setStructure,Method p4vasp.applet.BuilderApplet.StructureTreeModel.setStructure()=p4vasp.applet.BuilderApplet.StructureTreeModel-class.html#setStructure,Method p4vasp.applet.STMWindowApplet.STMWindowApplet.setStructure()=p4vasp.applet.STMWindowApplet.STMWindowApplet-class.html#setStructure,Method p4vasp.applet.StructureApplet.StructureApplet.setStructure()=p4vasp.applet.StructureApplet.StructureApplet-class.html#setStructure,Method p4vasp.applet.StructureWindowApplet.StructureWindowApplet.setStructure()=p4vasp.applet.StructureWindowApplet.StructureWindowApplet-class.html#setStructure,Method p4vasp.cStructure.Structure.setStructure()=p4vasp.cStructure.Structure-class.html#setStructure"><a title="p4vasp.Structure.Structure.setStructure
p4vasp.StructureWindow.StructureWindow.setStructure
p4vasp.applet.BuilderApplet.StructureTreeModel.setStructure
p4vasp.applet.STMWindowApplet.STMWindowApplet.setStructure
p4vasp.applet.StructureApplet.StructureApplet.setStructure
p4vasp.applet.StructureWindowApplet.StructureWindowApplet.setStructure
p4vasp.cStructure.Structure.setStructure" class="py-name" href="#" onclick="return doclink('link-226', 'setStructure', 'link-226');">setStructure</a></tt><tt class="py-op">(</tt><tt id="link-227" class="py-name"><a title="p4vasp.db.P4VMixin.init
p4vasp.db.UserManagementMixin.init" class="py-name" href="#" onclick="return doclink('link-227', 'init', 'link-15');">init</a></tt><tt class="py-op">)</tt> </tt>
<a name="L394"></a><tt class="py-lineno">394</tt>  <tt class="py-line">        <tt class="py-keyword">elif</tt> <tt class="py-name">type</tt><tt class="py-op">(</tt><tt id="link-228" class="py-name"><a title="p4vasp.db.P4VMixin.init
p4vasp.db.UserManagementMixin.init" class="py-name" href="#" onclick="return doclink('link-228', 'init', 'link-15');">init</a></tt><tt class="py-op">)</tt> <tt class="py-keyword">in</tt> <tt class="py-op">(</tt><tt class="py-name">StringType</tt><tt class="py-op">,</tt><tt class="py-name">UnicodeType</tt><tt class="py-op">,</tt><tt class="py-name">FileType</tt><tt class="py-op">)</tt><tt class="py-op">:</tt> </tt>
<a name="L395"></a><tt class="py-lineno">395</tt>  <tt class="py-line">            <tt class="py-name">self</tt><tt class="py-op">.</tt><tt class="py-name">this</tt>    <tt class="py-op">=</tt> <tt id="link-229" class="py-name"><a title="p4vasp.cStructure.extractPointer" class="py-name" href="#" onclick="return doclink('link-229', 'extractPointer', 'link-19');">extractPointer</a></tt><tt class="py-op">(</tt><tt class="py-name">_cp4vasp</tt><tt class="py-op">.</tt><tt class="py-name">new_Structure</tt><tt class="py-op">(</tt><tt class="py-op">)</tt><tt class="py-op">)</tt> </tt>
<a name="L396"></a><tt class="py-lineno">396</tt>  <tt class="py-line">            <tt class="py-name">self</tt><tt class="py-op">.</tt><tt class="py-name">thisown</tt> <tt class="py-op">=</tt> <tt class="py-number">1</tt> </tt>
<a name="L397"></a><tt class="py-lineno">397</tt>  <tt class="py-line">            <tt class="py-name">self</tt><tt class="py-op">.</tt><tt id="link-230" class="py-name" targets="Method p4vasp.Dictionary.Incar.read()=p4vasp.Dictionary.Incar-class.html#read,Method p4vasp.GraphPM.GraphProperty.read()=p4vasp.GraphPM.GraphProperty-class.html#read,Method p4vasp.Property.Property.read()=p4vasp.Property.Property-class.html#read,Method p4vasp.Structure.Structure.read()=p4vasp.Structure.Structure-class.html#read,Method p4vasp.cStructure.Structure.read()=p4vasp.cStructure.Structure-class.html#read,Method p4vasp.util.Parseable.read()=p4vasp.util.Parseable-class.html#read"><a title="p4vasp.Dictionary.Incar.read
p4vasp.GraphPM.GraphProperty.read
p4vasp.Property.Property.read
p4vasp.Structure.Structure.read
p4vasp.cStructure.Structure.read
p4vasp.util.Parseable.read" class="py-name" href="#" onclick="return doclink('link-230', 'read', 'link-230');">read</a></tt><tt class="py-op">(</tt><tt id="link-231" class="py-name"><a title="p4vasp.db.P4VMixin.init
p4vasp.db.UserManagementMixin.init" class="py-name" href="#" onclick="return doclink('link-231', 'init', 'link-15');">init</a></tt><tt class="py-op">)</tt> </tt>
<a name="L398"></a><tt class="py-lineno">398</tt>  <tt class="py-line">        <tt class="py-keyword">elif</tt> <tt id="link-232" class="py-name"><a title="p4vasp.db.P4VMixin.init
p4vasp.db.UserManagementMixin.init" class="py-name" href="#" onclick="return doclink('link-232', 'init', 'link-15');">init</a></tt><tt class="py-op">:</tt> </tt>
<a name="L399"></a><tt class="py-lineno">399</tt>  <tt class="py-line">            <tt class="py-name">self</tt><tt class="py-op">.</tt><tt class="py-name">this</tt>    <tt class="py-op">=</tt> <tt id="link-233" class="py-name"><a title="p4vasp.cStructure.extractPointer" class="py-name" href="#" onclick="return doclink('link-233', 'extractPointer', 'link-19');">extractPointer</a></tt><tt class="py-op">(</tt><tt class="py-name">_cp4vasp</tt><tt class="py-op">.</tt><tt class="py-name">new_Structure</tt><tt class="py-op">(</tt><tt class="py-op">)</tt><tt class="py-op">)</tt> </tt>
<a name="L400"></a><tt class="py-lineno">400</tt>  <tt class="py-line">            <tt class="py-name">self</tt><tt class="py-op">.</tt><tt class="py-name">thisown</tt> <tt class="py-op">=</tt> <tt class="py-number">1</tt> </tt>
<a name="L401"></a><tt class="py-lineno">401</tt>  <tt class="py-line">            <tt class="py-name">self</tt><tt class="py-op">.</tt><tt id="link-234" class="py-name"><a title="p4vasp.Array.Array.readFromNode
p4vasp.Array.VArray.readFromNode
p4vasp.Dictionary.Dictionary.readFromNode
p4vasp.Dictionary.Incar.readFromNode
p4vasp.Dictionary.StructuredDictionary.readFromNode
p4vasp.Structure.AtomInfo.readFromNode
p4vasp.Structure.Structure.readFromNode
p4vasp.SystemPM.KpointGeneration.readFromNode
p4vasp.SystemPM.Kpoints.readFromNode
p4vasp.cStructure.AtomInfo.readFromNode
p4vasp.cStructure.Structure.readFromNode" class="py-name" href="#" onclick="return doclink('link-234', 'readFromNode', 'link-101');">readFromNode</a></tt><tt class="py-op">(</tt><tt id="link-235" class="py-name"><a title="p4vasp.db.P4VMixin.init
p4vasp.db.UserManagementMixin.init" class="py-name" href="#" onclick="return doclink('link-235', 'init', 'link-15');">init</a></tt><tt class="py-op">)</tt> </tt>
<a name="L402"></a><tt class="py-lineno">402</tt>  <tt class="py-line">        <tt class="py-keyword">elif</tt> <tt class="py-name">pointer</tt><tt class="py-op">:</tt> </tt>
<a name="L403"></a><tt class="py-lineno">403</tt>  <tt class="py-line">            <tt class="py-name">self</tt><tt class="py-op">.</tt><tt class="py-name">this</tt><tt class="py-op">=</tt><tt class="py-name">pointer</tt> </tt>
<a name="L404"></a><tt class="py-lineno">404</tt>  <tt class="py-line">            <tt class="py-name">self</tt><tt class="py-op">.</tt><tt class="py-name">thisown</tt><tt class="py-op">=</tt><tt class="py-number">0</tt> </tt>
<a name="L405"></a><tt class="py-lineno">405</tt>  <tt class="py-line">        <tt class="py-keyword">else</tt><tt class="py-op">:</tt> </tt>
<a name="L406"></a><tt class="py-lineno">406</tt>  <tt class="py-line">            <tt class="py-name">self</tt><tt class="py-op">.</tt><tt class="py-name">this</tt>    <tt class="py-op">=</tt> <tt id="link-236" class="py-name"><a title="p4vasp.cStructure.extractPointer" class="py-name" href="#" onclick="return doclink('link-236', 'extractPointer', 'link-19');">extractPointer</a></tt><tt class="py-op">(</tt><tt class="py-name">_cp4vasp</tt><tt class="py-op">.</tt><tt class="py-name">new_Structure</tt><tt class="py-op">(</tt><tt class="py-op">)</tt><tt class="py-op">)</tt> </tt>
<a name="L407"></a><tt class="py-lineno">407</tt>  <tt class="py-line">            <tt class="py-name">self</tt><tt class="py-op">.</tt><tt class="py-name">thisown</tt> <tt class="py-op">=</tt> <tt class="py-number">1</tt> </tt>
</div><a name="L408"></a><tt class="py-lineno">408</tt>  <tt class="py-line"><tt class="py-comment">#        cp4vasp.Structure.__init__(self)</tt> </tt>
<a name="L409"></a><tt class="py-lineno">409</tt>  <tt class="py-line"> </tt>
<a name="Structure.readFromNode"></a><div id="Structure.readFromNode-def"><a name="L410"></a><tt class="py-lineno">410</tt> <a class="py-toggle" href="#" id="Structure.readFromNode-toggle" onclick="return toggle('Structure.readFromNode');">-</a><tt class="py-line">    <tt class="py-keyword">def</tt> <a class="py-def-name" href="p4vasp.cStructure.Structure-class.html#readFromNode">readFromNode</a><tt class="py-op">(</tt><tt class="py-param">self</tt><tt class="py-op">,</tt><tt class="py-param">elem</tt><tt class="py-op">,</tt><tt class="py-param">atominfo</tt><tt class="py-op">=</tt><tt class="py-number">0</tt><tt class="py-op">)</tt><tt class="py-op">:</tt> </tt>
</div><div id="Structure.readFromNode-collapsed" style="display:none;" pad="+++" indent="++++++++"></div><div id="Structure.readFromNode-expanded"><a name="L411"></a><tt class="py-lineno">411</tt>  <tt class="py-line">        <tt class="py-name">self</tt><tt class="py-op">.</tt><tt id="link-237" class="py-name"><a title="p4vasp.cStructure.AtomInfo.element" class="py-name" href="#" onclick="return doclink('link-237', 'element', 'link-78');">element</a></tt><tt class="py-op">=</tt><tt class="py-name">elem</tt> </tt>
<a name="L412"></a><tt class="py-lineno">412</tt>  <tt class="py-line">        <tt class="py-name">self</tt><tt class="py-op">.</tt><tt id="link-238" class="py-name"><a title="p4vasp.Structure.Structure.setStructure
p4vasp.StructureWindow.StructureWindow.setStructure
p4vasp.applet.BuilderApplet.StructureTreeModel.setStructure
p4vasp.applet.STMWindowApplet.STMWindowApplet.setStructure
p4vasp.applet.StructureApplet.StructureApplet.setStructure
p4vasp.applet.StructureWindowApplet.StructureWindowApplet.setStructure
p4vasp.cStructure.Structure.setStructure" class="py-name" href="#" onclick="return doclink('link-238', 'setStructure', 'link-226');">setStructure</a></tt><tt class="py-op">(</tt><tt id="link-239" class="py-name"><a title="p4vasp" class="py-name" href="#" onclick="return doclink('link-239', 'p4vasp', 'link-0');">p4vasp</a></tt><tt class="py-op">.</tt><tt id="link-240" class="py-name"><a title="p4vasp.Structure
p4vasp.Structure.Structure
p4vasp.cStructure.Structure" class="py-name" href="#" onclick="return doclink('link-240', 'Structure', 'link-3');">Structure</a></tt><tt class="py-op">.</tt><tt id="link-241" class="py-name"><a title="p4vasp.Structure
p4vasp.Structure.Structure
p4vasp.cStructure.Structure" class="py-name" href="#" onclick="return doclink('link-241', 'Structure', 'link-3');">Structure</a></tt><tt class="py-op">(</tt><tt class="py-name">elem</tt><tt class="py-op">,</tt><tt class="py-name">atominfo</tt><tt class="py-op">)</tt><tt class="py-op">)</tt> </tt>
</div><a name="L413"></a><tt class="py-lineno">413</tt>  <tt class="py-line"> </tt>
<a name="Structure.read"></a><div id="Structure.read-def"><a name="L414"></a><tt class="py-lineno">414</tt> <a class="py-toggle" href="#" id="Structure.read-toggle" onclick="return toggle('Structure.read');">-</a><tt class="py-line">    <tt class="py-keyword">def</tt> <a class="py-def-name" href="p4vasp.cStructure.Structure-class.html#read">read</a><tt class="py-op">(</tt><tt class="py-param">self</tt><tt class="py-op">,</tt><tt class="py-param">f</tt><tt class="py-op">)</tt><tt class="py-op">:</tt> </tt>
</div><div id="Structure.read-collapsed" style="display:none;" pad="+++" indent="++++++++"></div><div id="Structure.read-expanded"><a name="L415"></a><tt class="py-lineno">415</tt>  <tt class="py-line">        <tt class="py-keyword">if</tt> <tt class="py-op">(</tt><tt class="py-name">type</tt><tt class="py-op">(</tt><tt class="py-name">f</tt><tt class="py-op">)</tt> <tt class="py-keyword">is</tt> <tt class="py-name">StringType</tt><tt class="py-op">)</tt><tt class="py-op">:</tt> </tt>
<a name="L416"></a><tt class="py-lineno">416</tt>  <tt class="py-line">            <tt class="py-name">_cp4vasp</tt><tt class="py-op">.</tt><tt class="py-name">Structure_read</tt><tt class="py-op">(</tt><tt class="py-name">self</tt><tt class="py-op">.</tt><tt class="py-name">this</tt><tt class="py-op">,</tt><tt class="py-name">f</tt><tt class="py-op">)</tt> </tt>
<a name="L417"></a><tt class="py-lineno">417</tt>  <tt class="py-line">        <tt class="py-keyword">else</tt><tt class="py-op">:</tt> </tt>
<a name="L418"></a><tt class="py-lineno">418</tt>  <tt class="py-line">            <tt class="py-name">_cp4vasp</tt><tt class="py-op">.</tt><tt class="py-name">Structure_parse</tt><tt class="py-op">(</tt><tt class="py-name">self</tt><tt class="py-op">.</tt><tt class="py-name">this</tt><tt class="py-op">,</tt><tt class="py-name">f</tt><tt class="py-op">.</tt><tt id="link-242" class="py-name"><a title="p4vasp.Dictionary.Incar.read
p4vasp.GraphPM.GraphProperty.read
p4vasp.Property.Property.read
p4vasp.Structure.Structure.read
p4vasp.cStructure.Structure.read
p4vasp.util.Parseable.read" class="py-name" href="#" onclick="return doclink('link-242', 'read', 'link-230');">read</a></tt><tt class="py-op">(</tt><tt class="py-op">)</tt><tt class="py-op">)</tt> </tt>
</div><a name="L419"></a><tt class="py-lineno">419</tt>  <tt class="py-line"> </tt>
<a name="Structure.write"></a><div id="Structure.write-def"><a name="L420"></a><tt class="py-lineno">420</tt> <a class="py-toggle" href="#" id="Structure.write-toggle" onclick="return toggle('Structure.write');">-</a><tt class="py-line">    <tt class="py-keyword">def</tt> <a class="py-def-name" href="p4vasp.cStructure.Structure-class.html#write">write</a><tt class="py-op">(</tt><tt class="py-param">self</tt><tt class="py-op">,</tt><tt class="py-param">f</tt><tt class="py-op">)</tt><tt class="py-op">:</tt> </tt>
</div><div id="Structure.write-collapsed" style="display:none;" pad="+++" indent="++++++++"></div><div id="Structure.write-expanded"><a name="L421"></a><tt class="py-lineno">421</tt>  <tt class="py-line">        <tt class="py-keyword">if</tt> <tt class="py-op">(</tt><tt class="py-name">type</tt><tt class="py-op">(</tt><tt class="py-name">f</tt><tt class="py-op">)</tt> <tt class="py-keyword">is</tt> <tt class="py-name">StringType</tt><tt class="py-op">)</tt><tt class="py-op">:</tt> </tt>
<a name="L422"></a><tt class="py-lineno">422</tt>  <tt class="py-line">            <tt class="py-name">_cp4vasp</tt><tt class="py-op">.</tt><tt class="py-name">Structure_write</tt><tt class="py-op">(</tt><tt class="py-name">self</tt><tt class="py-op">.</tt><tt class="py-name">this</tt><tt class="py-op">,</tt><tt class="py-name">f</tt><tt class="py-op">)</tt> </tt>
<a name="L423"></a><tt class="py-lineno">423</tt>  <tt class="py-line">        <tt class="py-keyword">else</tt><tt class="py-op">:</tt> </tt>
<a name="L424"></a><tt class="py-lineno">424</tt>  <tt class="py-line">            <tt class="py-name">f</tt><tt class="py-op">.</tt><tt id="link-243" class="py-name" targets="Method p4vasp.Dictionary.Incar.write()=p4vasp.Dictionary.Incar-class.html#write,Method p4vasp.Structure.Structure.write()=p4vasp.Structure.Structure-class.html#write,Method p4vasp.SystemPM.SetupPM.write()=p4vasp.SystemPM.SetupPM-class.html#write,Method p4vasp.cStructure.Structure.write()=p4vasp.cStructure.Structure-class.html#write,Method p4vasp.cmatrix.Vector.write()=p4vasp.cmatrix.Vector-class.html#write,Method p4vasp.matrix.Vector.write()=p4vasp.matrix.Vector-class.html#write,Method p4vasp.message.DummyFile.write()=p4vasp.message.DummyFile-class.html#write,Method p4vasp.message.PrintFile.write()=p4vasp.message.PrintFile-class.html#write,Method p4vasp.paint3d.ColladaPaint3D.ColladaPaint3D.write()=p4vasp.paint3d.ColladaPaint3D.ColladaPaint3D-class.html#write,Method p4vasp.paint3d.OpenGLPaint3D.BasicOpenGLPaint3D.write()=p4vasp.paint3d.OpenGLPaint3D.BasicOpenGLPaint3D-class.html#write,Method p4vasp.paint3d.Paint3DInterface.Paint3DInterface.write()=p4vasp.paint3d.Paint3DInterface.Paint3DInterface-class.html#write,Method p4vasp.paint3d.PovrayPaint3D.ExtendedPovrayPaint3D.write()=p4vasp.paint3d.PovrayPaint3D.ExtendedPovrayPaint3D-class.html#write,Method p4vasp.paint3d.PovrayPaint3D.PovrayPaint3D.write()=p4vasp.paint3d.PovrayPaint3D.PovrayPaint3D-class.html#write,Method p4vasp.paint3d.PovrayPaint3D.PovrayPaint3DFrame.write()=p4vasp.paint3d.PovrayPaint3D.PovrayPaint3DFrame-class.html#write,Method p4vasp.store.AttributeProfile.write()=p4vasp.store.AttributeProfile-class.html#write,Method p4vasp.store.Profile.write()=p4vasp.store.Profile-class.html#write"><a title="p4vasp.Dictionary.Incar.write
p4vasp.Structure.Structure.write
p4vasp.SystemPM.SetupPM.write
p4vasp.cStructure.Structure.write
p4vasp.cmatrix.Vector.write
p4vasp.matrix.Vector.write
p4vasp.message.DummyFile.write
p4vasp.message.PrintFile.write
p4vasp.paint3d.ColladaPaint3D.ColladaPaint3D.write
p4vasp.paint3d.OpenGLPaint3D.BasicOpenGLPaint3D.write
p4vasp.paint3d.Paint3DInterface.Paint3DInterface.write
p4vasp.paint3d.PovrayPaint3D.ExtendedPovrayPaint3D.write
p4vasp.paint3d.PovrayPaint3D.PovrayPaint3D.write
p4vasp.paint3d.PovrayPaint3D.PovrayPaint3DFrame.write
p4vasp.store.AttributeProfile.write
p4vasp.store.Profile.write" class="py-name" href="#" onclick="return doclink('link-243', 'write', 'link-243');">write</a></tt><tt class="py-op">(</tt><tt class="py-name">self</tt><tt class="py-op">.</tt><tt id="link-244" class="py-name" targets="Method p4vasp.cStructure.Structure.toString()=p4vasp.cStructure.Structure-class.html#toString,Method p4vasp.util.ToString.toString()=p4vasp.util.ToString-class.html#toString"><a title="p4vasp.cStructure.Structure.toString
p4vasp.util.ToString.toString" class="py-name" href="#" onclick="return doclink('link-244', 'toString', 'link-244');">toString</a></tt><tt class="py-op">(</tt><tt class="py-op">)</tt><tt class="py-op">)</tt> </tt>
</div><a name="L425"></a><tt class="py-lineno">425</tt>  <tt class="py-line"> </tt>
<a name="Structure.updateRecipBasis"></a><div id="Structure.updateRecipBasis-def"><a name="L426"></a><tt class="py-lineno">426</tt> <a class="py-toggle" href="#" id="Structure.updateRecipBasis-toggle" onclick="return toggle('Structure.updateRecipBasis');">-</a><tt class="py-line">    <tt class="py-keyword">def</tt> <a class="py-def-name" href="p4vasp.cStructure.Structure-class.html#updateRecipBasis">updateRecipBasis</a><tt class="py-op">(</tt><tt class="py-param">self</tt><tt class="py-op">)</tt><tt class="py-op">:</tt> </tt>
</div><div id="Structure.updateRecipBasis-collapsed" style="display:none;" pad="+++" indent="++++++++"></div><div id="Structure.updateRecipBasis-expanded"><a name="L427"></a><tt class="py-lineno">427</tt>  <tt class="py-line">        <tt class="py-keyword">return</tt> <tt class="py-name">_cp4vasp</tt><tt class="py-op">.</tt><tt class="py-name">Structure_updateRecipBasis</tt><tt class="py-op">(</tt><tt class="py-name">self</tt><tt class="py-op">.</tt><tt class="py-name">this</tt><tt class="py-op">)</tt> </tt>
</div><a name="L428"></a><tt class="py-lineno">428</tt>  <tt class="py-line"> </tt>
<a name="Structure.dir2cart"></a><div id="Structure.dir2cart-def"><a name="L429"></a><tt class="py-lineno">429</tt> <a class="py-toggle" href="#" id="Structure.dir2cart-toggle" onclick="return toggle('Structure.dir2cart');">-</a><tt class="py-line">    <tt class="py-keyword">def</tt> <a class="py-def-name" href="p4vasp.cStructure.Structure-class.html#dir2cart">dir2cart</a><tt class="py-op">(</tt><tt class="py-param">self</tt><tt class="py-op">,</tt><tt class="py-param">v</tt><tt class="py-op">)</tt><tt class="py-op">:</tt> </tt>
</div><div id="Structure.dir2cart-collapsed" style="display:none;" pad="+++" indent="++++++++"></div><div id="Structure.dir2cart-expanded"><a name="L430"></a><tt class="py-lineno">430</tt>  <tt class="py-line">        <tt class="py-name">dest</tt><tt class="py-op">=</tt><tt id="link-245" class="py-name" targets="Class p4vasp.cmatrix.Vector=p4vasp.cmatrix.Vector-class.html,Class p4vasp.matrix.Vector=p4vasp.matrix.Vector-class.html"><a title="p4vasp.cmatrix.Vector
p4vasp.matrix.Vector" class="py-name" href="#" onclick="return doclink('link-245', 'Vector', 'link-245');">Vector</a></tt><tt class="py-op">(</tt><tt class="py-op">)</tt> </tt>
<a name="L431"></a><tt class="py-lineno">431</tt>  <tt class="py-line">        <tt class="py-keyword">if</tt> <tt class="py-keyword">not</tt> <tt id="link-246" class="py-name" targets="Function p4vasp.cmatrix.isCVector()=p4vasp.cmatrix-module.html#isCVector"><a title="p4vasp.cmatrix.isCVector" class="py-name" href="#" onclick="return doclink('link-246', 'isCVector', 'link-246');">isCVector</a></tt><tt class="py-op">(</tt><tt class="py-name">v</tt><tt class="py-op">)</tt><tt class="py-op">:</tt> </tt>
<a name="L432"></a><tt class="py-lineno">432</tt>  <tt class="py-line">            <tt class="py-name">v</tt><tt class="py-op">=</tt><tt id="link-247" class="py-name"><a title="p4vasp.cmatrix.Vector
p4vasp.matrix.Vector" class="py-name" href="#" onclick="return doclink('link-247', 'Vector', 'link-245');">Vector</a></tt><tt class="py-op">(</tt><tt class="py-name">v</tt><tt class="py-op">)</tt> </tt>
<a name="L433"></a><tt class="py-lineno">433</tt>  <tt class="py-line">        <tt class="py-name">_cp4vasp</tt><tt class="py-op">.</tt><tt class="py-name">Structure_dir2cart</tt><tt class="py-op">(</tt><tt class="py-name">self</tt><tt class="py-op">.</tt><tt class="py-name">this</tt><tt class="py-op">,</tt><tt class="py-name">dest</tt><tt class="py-op">.</tt><tt class="py-name">pointer</tt><tt class="py-op">,</tt><tt class="py-name">v</tt><tt class="py-op">.</tt><tt class="py-name">pointer</tt><tt class="py-op">)</tt> </tt>
<a name="L434"></a><tt class="py-lineno">434</tt>  <tt class="py-line">        <tt class="py-keyword">return</tt> <tt class="py-name">dest</tt> </tt>
</div><a name="L435"></a><tt class="py-lineno">435</tt>  <tt class="py-line"> </tt>
<a name="Structure.cart2dir"></a><div id="Structure.cart2dir-def"><a name="L436"></a><tt class="py-lineno">436</tt> <a class="py-toggle" href="#" id="Structure.cart2dir-toggle" onclick="return toggle('Structure.cart2dir');">-</a><tt class="py-line">    <tt class="py-keyword">def</tt> <a class="py-def-name" href="p4vasp.cStructure.Structure-class.html#cart2dir">cart2dir</a><tt class="py-op">(</tt><tt class="py-param">self</tt><tt class="py-op">,</tt><tt class="py-param">v</tt><tt class="py-op">)</tt><tt class="py-op">:</tt> </tt>
</div><div id="Structure.cart2dir-collapsed" style="display:none;" pad="+++" indent="++++++++"></div><div id="Structure.cart2dir-expanded"><a name="L437"></a><tt class="py-lineno">437</tt>  <tt class="py-line">        <tt class="py-name">dest</tt><tt class="py-op">=</tt><tt id="link-248" class="py-name"><a title="p4vasp.cmatrix.Vector
p4vasp.matrix.Vector" class="py-name" href="#" onclick="return doclink('link-248', 'Vector', 'link-245');">Vector</a></tt><tt class="py-op">(</tt><tt class="py-op">)</tt> </tt>
<a name="L438"></a><tt class="py-lineno">438</tt>  <tt class="py-line">        <tt class="py-keyword">if</tt> <tt class="py-keyword">not</tt> <tt id="link-249" class="py-name"><a title="p4vasp.cmatrix.isCVector" class="py-name" href="#" onclick="return doclink('link-249', 'isCVector', 'link-246');">isCVector</a></tt><tt class="py-op">(</tt><tt class="py-name">v</tt><tt class="py-op">)</tt><tt class="py-op">:</tt> </tt>
<a name="L439"></a><tt class="py-lineno">439</tt>  <tt class="py-line">            <tt class="py-name">v</tt><tt class="py-op">=</tt><tt id="link-250" class="py-name"><a title="p4vasp.cmatrix.Vector
p4vasp.matrix.Vector" class="py-name" href="#" onclick="return doclink('link-250', 'Vector', 'link-245');">Vector</a></tt><tt class="py-op">(</tt><tt class="py-name">v</tt><tt class="py-op">)</tt> </tt>
<a name="L440"></a><tt class="py-lineno">440</tt>  <tt class="py-line">        <tt class="py-name">_cp4vasp</tt><tt class="py-op">.</tt><tt class="py-name">Structure_cart2dir</tt><tt class="py-op">(</tt><tt class="py-name">self</tt><tt class="py-op">.</tt><tt class="py-name">this</tt><tt class="py-op">,</tt><tt class="py-name">dest</tt><tt class="py-op">.</tt><tt class="py-name">pointer</tt><tt class="py-op">,</tt><tt class="py-name">v</tt><tt class="py-op">.</tt><tt class="py-name">pointer</tt><tt class="py-op">)</tt> </tt>
<a name="L441"></a><tt class="py-lineno">441</tt>  <tt class="py-line">        <tt class="py-keyword">return</tt> <tt class="py-name">dest</tt> </tt>
</div><a name="L442"></a><tt class="py-lineno">442</tt>  <tt class="py-line"> </tt>
<a name="Structure.dirVectorToUnitCell"></a><div id="Structure.dirVectorToUnitCell-def"><a name="L443"></a><tt class="py-lineno">443</tt> <a class="py-toggle" href="#" id="Structure.dirVectorToUnitCell-toggle" onclick="return toggle('Structure.dirVectorToUnitCell');">-</a><tt class="py-line">    <tt class="py-keyword">def</tt> <a class="py-def-name" href="p4vasp.cStructure.Structure-class.html#dirVectorToUnitCell">dirVectorToUnitCell</a><tt class="py-op">(</tt><tt class="py-param">self</tt><tt class="py-op">,</tt><tt class="py-param">v</tt><tt class="py-op">)</tt><tt class="py-op">:</tt> </tt>
</div><div id="Structure.dirVectorToUnitCell-collapsed" style="display:none;" pad="+++" indent="++++++++"></div><div id="Structure.dirVectorToUnitCell-expanded"><a name="L444"></a><tt class="py-lineno">444</tt>  <tt class="py-line">        <tt class="py-name">dest</tt><tt class="py-op">=</tt><tt id="link-251" class="py-name"><a title="p4vasp.cmatrix.Vector
p4vasp.matrix.Vector" class="py-name" href="#" onclick="return doclink('link-251', 'Vector', 'link-245');">Vector</a></tt><tt class="py-op">(</tt><tt class="py-op">)</tt> </tt>
<a name="L445"></a><tt class="py-lineno">445</tt>  <tt class="py-line">        <tt class="py-keyword">if</tt> <tt class="py-keyword">not</tt> <tt id="link-252" class="py-name"><a title="p4vasp.cmatrix.isCVector" class="py-name" href="#" onclick="return doclink('link-252', 'isCVector', 'link-246');">isCVector</a></tt><tt class="py-op">(</tt><tt class="py-name">v</tt><tt class="py-op">)</tt><tt class="py-op">:</tt> </tt>
<a name="L446"></a><tt class="py-lineno">446</tt>  <tt class="py-line">            <tt class="py-name">v</tt><tt class="py-op">=</tt><tt id="link-253" class="py-name"><a title="p4vasp.cmatrix.Vector
p4vasp.matrix.Vector" class="py-name" href="#" onclick="return doclink('link-253', 'Vector', 'link-245');">Vector</a></tt><tt class="py-op">(</tt><tt class="py-name">v</tt><tt class="py-op">)</tt> </tt>
<a name="L447"></a><tt class="py-lineno">447</tt>  <tt class="py-line">        <tt class="py-name">_cp4vasp</tt><tt class="py-op">.</tt><tt class="py-name">Structure_dirVectorToUnitCell</tt><tt class="py-op">(</tt><tt class="py-name">self</tt><tt class="py-op">.</tt><tt class="py-name">this</tt><tt class="py-op">,</tt><tt class="py-name">dest</tt><tt class="py-op">.</tt><tt class="py-name">pointer</tt><tt class="py-op">,</tt><tt class="py-name">v</tt><tt class="py-op">.</tt><tt class="py-name">pointer</tt><tt class="py-op">)</tt> </tt>
<a name="L448"></a><tt class="py-lineno">448</tt>  <tt class="py-line">        <tt class="py-keyword">return</tt> <tt class="py-name">dest</tt> </tt>
</div><a name="L449"></a><tt class="py-lineno">449</tt>  <tt class="py-line"> </tt>
<a name="Structure.dirVectorToCenteredUnitCell"></a><div id="Structure.dirVectorToCenteredUnitCell-def"><a name="L450"></a><tt class="py-lineno">450</tt> <a class="py-toggle" href="#" id="Structure.dirVectorToCenteredUnitCell-toggle" onclick="return toggle('Structure.dirVectorToCenteredUnitCell');">-</a><tt class="py-line">    <tt class="py-keyword">def</tt> <a class="py-def-name" href="p4vasp.cStructure.Structure-class.html#dirVectorToCenteredUnitCell">dirVectorToCenteredUnitCell</a><tt class="py-op">(</tt><tt class="py-param">self</tt><tt class="py-op">,</tt><tt class="py-param">v</tt><tt class="py-op">)</tt><tt class="py-op">:</tt> </tt>
</div><div id="Structure.dirVectorToCenteredUnitCell-collapsed" style="display:none;" pad="+++" indent="++++++++"></div><div id="Structure.dirVectorToCenteredUnitCell-expanded"><a name="L451"></a><tt class="py-lineno">451</tt>  <tt class="py-line">        <tt class="py-name">dest</tt><tt class="py-op">=</tt><tt id="link-254" class="py-name"><a title="p4vasp.cmatrix.Vector
p4vasp.matrix.Vector" class="py-name" href="#" onclick="return doclink('link-254', 'Vector', 'link-245');">Vector</a></tt><tt class="py-op">(</tt><tt class="py-op">)</tt> </tt>
<a name="L452"></a><tt class="py-lineno">452</tt>  <tt class="py-line">        <tt class="py-keyword">if</tt> <tt class="py-keyword">not</tt> <tt id="link-255" class="py-name"><a title="p4vasp.cmatrix.isCVector" class="py-name" href="#" onclick="return doclink('link-255', 'isCVector', 'link-246');">isCVector</a></tt><tt class="py-op">(</tt><tt class="py-name">v</tt><tt class="py-op">)</tt><tt class="py-op">:</tt> </tt>
<a name="L453"></a><tt class="py-lineno">453</tt>  <tt class="py-line">            <tt class="py-name">v</tt><tt class="py-op">=</tt><tt id="link-256" class="py-name"><a title="p4vasp.cmatrix.Vector
p4vasp.matrix.Vector" class="py-name" href="#" onclick="return doclink('link-256', 'Vector', 'link-245');">Vector</a></tt><tt class="py-op">(</tt><tt class="py-name">v</tt><tt class="py-op">)</tt> </tt>
<a name="L454"></a><tt class="py-lineno">454</tt>  <tt class="py-line">        <tt class="py-name">_cp4vasp</tt><tt class="py-op">.</tt><tt class="py-name">Structure_dirVectorToCenteredUnitCell</tt><tt class="py-op">(</tt><tt class="py-name">self</tt><tt class="py-op">.</tt><tt class="py-name">this</tt><tt class="py-op">,</tt><tt class="py-name">dest</tt><tt class="py-op">.</tt><tt class="py-name">pointer</tt><tt class="py-op">,</tt><tt class="py-name">v</tt><tt class="py-op">.</tt><tt class="py-name">pointer</tt><tt class="py-op">)</tt> </tt>
<a name="L455"></a><tt class="py-lineno">455</tt>  <tt class="py-line">        <tt class="py-keyword">return</tt> <tt class="py-name">dest</tt> </tt>
</div><a name="L456"></a><tt class="py-lineno">456</tt>  <tt class="py-line"> </tt>
<a name="Structure.cartVectorToUnitCell"></a><div id="Structure.cartVectorToUnitCell-def"><a name="L457"></a><tt class="py-lineno">457</tt> <a class="py-toggle" href="#" id="Structure.cartVectorToUnitCell-toggle" onclick="return toggle('Structure.cartVectorToUnitCell');">-</a><tt class="py-line">    <tt class="py-keyword">def</tt> <a class="py-def-name" href="p4vasp.cStructure.Structure-class.html#cartVectorToUnitCell">cartVectorToUnitCell</a><tt class="py-op">(</tt><tt class="py-param">self</tt><tt class="py-op">,</tt><tt class="py-param">v</tt><tt class="py-op">)</tt><tt class="py-op">:</tt> </tt>
</div><div id="Structure.cartVectorToUnitCell-collapsed" style="display:none;" pad="+++" indent="++++++++"></div><div id="Structure.cartVectorToUnitCell-expanded"><a name="L458"></a><tt class="py-lineno">458</tt>  <tt class="py-line">        <tt class="py-name">dest</tt><tt class="py-op">=</tt><tt id="link-257" class="py-name"><a title="p4vasp.cmatrix.Vector
p4vasp.matrix.Vector" class="py-name" href="#" onclick="return doclink('link-257', 'Vector', 'link-245');">Vector</a></tt><tt class="py-op">(</tt><tt class="py-op">)</tt> </tt>
<a name="L459"></a><tt class="py-lineno">459</tt>  <tt class="py-line">        <tt class="py-keyword">if</tt> <tt class="py-keyword">not</tt> <tt id="link-258" class="py-name"><a title="p4vasp.cmatrix.isCVector" class="py-name" href="#" onclick="return doclink('link-258', 'isCVector', 'link-246');">isCVector</a></tt><tt class="py-op">(</tt><tt class="py-name">v</tt><tt class="py-op">)</tt><tt class="py-op">:</tt> </tt>
<a name="L460"></a><tt class="py-lineno">460</tt>  <tt class="py-line">            <tt class="py-name">v</tt><tt class="py-op">=</tt><tt id="link-259" class="py-name"><a title="p4vasp.cmatrix.Vector
p4vasp.matrix.Vector" class="py-name" href="#" onclick="return doclink('link-259', 'Vector', 'link-245');">Vector</a></tt><tt class="py-op">(</tt><tt class="py-name">v</tt><tt class="py-op">)</tt> </tt>
<a name="L461"></a><tt class="py-lineno">461</tt>  <tt class="py-line">        <tt class="py-name">_cp4vasp</tt><tt class="py-op">.</tt><tt class="py-name">Structure_cartVectorToUnitCell</tt><tt class="py-op">(</tt><tt class="py-name">self</tt><tt class="py-op">.</tt><tt class="py-name">this</tt><tt class="py-op">,</tt><tt class="py-name">dest</tt><tt class="py-op">.</tt><tt class="py-name">pointer</tt><tt class="py-op">,</tt><tt class="py-name">v</tt><tt class="py-op">.</tt><tt class="py-name">pointer</tt><tt class="py-op">)</tt> </tt>
<a name="L462"></a><tt class="py-lineno">462</tt>  <tt class="py-line">        <tt class="py-keyword">return</tt> <tt class="py-name">dest</tt> </tt>
</div><a name="L463"></a><tt class="py-lineno">463</tt>  <tt class="py-line"> </tt>
<a name="Structure.cartVectorToCenteredUnitCell"></a><div id="Structure.cartVectorToCenteredUnitCell-def"><a name="L464"></a><tt class="py-lineno">464</tt> <a class="py-toggle" href="#" id="Structure.cartVectorToCenteredUnitCell-toggle" onclick="return toggle('Structure.cartVectorToCenteredUnitCell');">-</a><tt class="py-line">    <tt class="py-keyword">def</tt> <a class="py-def-name" href="p4vasp.cStructure.Structure-class.html#cartVectorToCenteredUnitCell">cartVectorToCenteredUnitCell</a><tt class="py-op">(</tt><tt class="py-param">self</tt><tt class="py-op">,</tt><tt class="py-param">v</tt><tt class="py-op">)</tt><tt class="py-op">:</tt> </tt>
</div><div id="Structure.cartVectorToCenteredUnitCell-collapsed" style="display:none;" pad="+++" indent="++++++++"></div><div id="Structure.cartVectorToCenteredUnitCell-expanded"><a name="L465"></a><tt class="py-lineno">465</tt>  <tt class="py-line">        <tt class="py-name">dest</tt><tt class="py-op">=</tt><tt id="link-260" class="py-name"><a title="p4vasp.cmatrix.Vector
p4vasp.matrix.Vector" class="py-name" href="#" onclick="return doclink('link-260', 'Vector', 'link-245');">Vector</a></tt><tt class="py-op">(</tt><tt class="py-op">)</tt> </tt>
<a name="L466"></a><tt class="py-lineno">466</tt>  <tt class="py-line">        <tt class="py-keyword">if</tt> <tt class="py-keyword">not</tt> <tt id="link-261" class="py-name"><a title="p4vasp.cmatrix.isCVector" class="py-name" href="#" onclick="return doclink('link-261', 'isCVector', 'link-246');">isCVector</a></tt><tt class="py-op">(</tt><tt class="py-name">v</tt><tt class="py-op">)</tt><tt class="py-op">:</tt> </tt>
<a name="L467"></a><tt class="py-lineno">467</tt>  <tt class="py-line">            <tt class="py-name">v</tt><tt class="py-op">=</tt><tt id="link-262" class="py-name"><a title="p4vasp.cmatrix.Vector
p4vasp.matrix.Vector" class="py-name" href="#" onclick="return doclink('link-262', 'Vector', 'link-245');">Vector</a></tt><tt class="py-op">(</tt><tt class="py-name">v</tt><tt class="py-op">)</tt> </tt>
<a name="L468"></a><tt class="py-lineno">468</tt>  <tt class="py-line">        <tt class="py-name">_cp4vasp</tt><tt class="py-op">.</tt><tt class="py-name">Structure_cartVectorToCenteredUnitCell</tt><tt class="py-op">(</tt><tt class="py-name">self</tt><tt class="py-op">.</tt><tt class="py-name">this</tt><tt class="py-op">,</tt><tt class="py-name">dest</tt><tt class="py-op">.</tt><tt class="py-name">pointer</tt><tt class="py-op">,</tt><tt class="py-name">v</tt><tt class="py-op">.</tt><tt class="py-name">pointer</tt><tt class="py-op">)</tt> </tt>
<a name="L469"></a><tt class="py-lineno">469</tt>  <tt class="py-line">        <tt class="py-keyword">return</tt> <tt class="py-name">dest</tt> </tt>
</div><a name="L470"></a><tt class="py-lineno">470</tt>  <tt class="py-line"> </tt>
<a name="Structure.vectorToUnitCell"></a><div id="Structure.vectorToUnitCell-def"><a name="L471"></a><tt class="py-lineno">471</tt> <a class="py-toggle" href="#" id="Structure.vectorToUnitCell-toggle" onclick="return toggle('Structure.vectorToUnitCell');">-</a><tt class="py-line">    <tt class="py-keyword">def</tt> <a class="py-def-name" href="p4vasp.cStructure.Structure-class.html#vectorToUnitCell">vectorToUnitCell</a><tt class="py-op">(</tt><tt class="py-param">self</tt><tt class="py-op">,</tt><tt class="py-param">v</tt><tt class="py-op">)</tt><tt class="py-op">:</tt> </tt>
</div><div id="Structure.vectorToUnitCell-collapsed" style="display:none;" pad="+++" indent="++++++++"></div><div id="Structure.vectorToUnitCell-expanded"><a name="L472"></a><tt class="py-lineno">472</tt>  <tt class="py-line">        <tt class="py-name">dest</tt><tt class="py-op">=</tt><tt id="link-263" class="py-name"><a title="p4vasp.cmatrix.Vector
p4vasp.matrix.Vector" class="py-name" href="#" onclick="return doclink('link-263', 'Vector', 'link-245');">Vector</a></tt><tt class="py-op">(</tt><tt class="py-op">)</tt> </tt>
<a name="L473"></a><tt class="py-lineno">473</tt>  <tt class="py-line">        <tt class="py-keyword">if</tt> <tt class="py-keyword">not</tt> <tt id="link-264" class="py-name"><a title="p4vasp.cmatrix.isCVector" class="py-name" href="#" onclick="return doclink('link-264', 'isCVector', 'link-246');">isCVector</a></tt><tt class="py-op">(</tt><tt class="py-name">v</tt><tt class="py-op">)</tt><tt class="py-op">:</tt> </tt>
<a name="L474"></a><tt class="py-lineno">474</tt>  <tt class="py-line">            <tt class="py-name">v</tt><tt class="py-op">=</tt><tt id="link-265" class="py-name"><a title="p4vasp.cmatrix.Vector
p4vasp.matrix.Vector" class="py-name" href="#" onclick="return doclink('link-265', 'Vector', 'link-245');">Vector</a></tt><tt class="py-op">(</tt><tt class="py-name">v</tt><tt class="py-op">)</tt> </tt>
<a name="L475"></a><tt class="py-lineno">475</tt>  <tt class="py-line">        <tt class="py-name">_cp4vasp</tt><tt class="py-op">.</tt><tt class="py-name">Structure_vectorToUnitCell</tt><tt class="py-op">(</tt><tt class="py-name">self</tt><tt class="py-op">.</tt><tt class="py-name">this</tt><tt class="py-op">,</tt><tt class="py-name">dest</tt><tt class="py-op">.</tt><tt class="py-name">pointer</tt><tt class="py-op">,</tt><tt class="py-name">v</tt><tt class="py-op">.</tt><tt class="py-name">pointer</tt><tt class="py-op">)</tt> </tt>
<a name="L476"></a><tt class="py-lineno">476</tt>  <tt class="py-line">        <tt class="py-keyword">return</tt> <tt class="py-name">dest</tt> </tt>
</div><a name="L477"></a><tt class="py-lineno">477</tt>  <tt class="py-line"> </tt>
<a name="Structure.vectorToCenteredUnitCell"></a><div id="Structure.vectorToCenteredUnitCell-def"><a name="L478"></a><tt class="py-lineno">478</tt> <a class="py-toggle" href="#" id="Structure.vectorToCenteredUnitCell-toggle" onclick="return toggle('Structure.vectorToCenteredUnitCell');">-</a><tt class="py-line">    <tt class="py-keyword">def</tt> <a class="py-def-name" href="p4vasp.cStructure.Structure-class.html#vectorToCenteredUnitCell">vectorToCenteredUnitCell</a><tt class="py-op">(</tt><tt class="py-param">self</tt><tt class="py-op">,</tt><tt class="py-param">v</tt><tt class="py-op">)</tt><tt class="py-op">:</tt> </tt>
</div><div id="Structure.vectorToCenteredUnitCell-collapsed" style="display:none;" pad="+++" indent="++++++++"></div><div id="Structure.vectorToCenteredUnitCell-expanded"><a name="L479"></a><tt class="py-lineno">479</tt>  <tt class="py-line">        <tt class="py-name">dest</tt><tt class="py-op">=</tt><tt id="link-266" class="py-name"><a title="p4vasp.cmatrix.Vector
p4vasp.matrix.Vector" class="py-name" href="#" onclick="return doclink('link-266', 'Vector', 'link-245');">Vector</a></tt><tt class="py-op">(</tt><tt class="py-op">)</tt> </tt>
<a name="L480"></a><tt class="py-lineno">480</tt>  <tt class="py-line">        <tt class="py-keyword">if</tt> <tt class="py-keyword">not</tt> <tt id="link-267" class="py-name"><a title="p4vasp.cmatrix.isCVector" class="py-name" href="#" onclick="return doclink('link-267', 'isCVector', 'link-246');">isCVector</a></tt><tt class="py-op">(</tt><tt class="py-name">v</tt><tt class="py-op">)</tt><tt class="py-op">:</tt> </tt>
<a name="L481"></a><tt class="py-lineno">481</tt>  <tt class="py-line">            <tt class="py-name">v</tt><tt class="py-op">=</tt><tt id="link-268" class="py-name"><a title="p4vasp.cmatrix.Vector
p4vasp.matrix.Vector" class="py-name" href="#" onclick="return doclink('link-268', 'Vector', 'link-245');">Vector</a></tt><tt class="py-op">(</tt><tt class="py-name">v</tt><tt class="py-op">)</tt> </tt>
<a name="L482"></a><tt class="py-lineno">482</tt>  <tt class="py-line">        <tt class="py-name">_cp4vasp</tt><tt class="py-op">.</tt><tt class="py-name">Structure_vectorToCenteredUnitCell</tt><tt class="py-op">(</tt><tt class="py-name">self</tt><tt class="py-op">.</tt><tt class="py-name">this</tt><tt class="py-op">,</tt><tt class="py-name">dest</tt><tt class="py-op">.</tt><tt class="py-name">pointer</tt><tt class="py-op">,</tt><tt class="py-name">v</tt><tt class="py-op">.</tt><tt class="py-name">pointer</tt><tt class="py-op">)</tt> </tt>
<a name="L483"></a><tt class="py-lineno">483</tt>  <tt class="py-line">        <tt class="py-keyword">return</tt> <tt class="py-name">dest</tt> </tt>
</div><a name="L484"></a><tt class="py-lineno">484</tt>  <tt class="py-line"> </tt>
<a name="Structure.mindistCartVectors"></a><div id="Structure.mindistCartVectors-def"><a name="L485"></a><tt class="py-lineno">485</tt> <a class="py-toggle" href="#" id="Structure.mindistCartVectors-toggle" onclick="return toggle('Structure.mindistCartVectors');">-</a><tt class="py-line">    <tt class="py-keyword">def</tt> <a class="py-def-name" href="p4vasp.cStructure.Structure-class.html#mindistCartVectors">mindistCartVectors</a><tt class="py-op">(</tt><tt class="py-param">self</tt><tt class="py-op">,</tt><tt class="py-param">a</tt><tt class="py-op">,</tt><tt class="py-param">b</tt><tt class="py-op">)</tt><tt class="py-op">:</tt> </tt>
</div><div id="Structure.mindistCartVectors-collapsed" style="display:none;" pad="+++" indent="++++++++"></div><div id="Structure.mindistCartVectors-expanded"><a name="L486"></a><tt class="py-lineno">486</tt>  <tt class="py-line">        <tt class="py-keyword">if</tt> <tt class="py-keyword">not</tt> <tt id="link-269" class="py-name"><a title="p4vasp.cmatrix.isCVector" class="py-name" href="#" onclick="return doclink('link-269', 'isCVector', 'link-246');">isCVector</a></tt><tt class="py-op">(</tt><tt class="py-name">a</tt><tt class="py-op">)</tt><tt class="py-op">:</tt> </tt>
<a name="L487"></a><tt class="py-lineno">487</tt>  <tt class="py-line">            <tt class="py-name">a</tt><tt class="py-op">=</tt><tt id="link-270" class="py-name"><a title="p4vasp.cmatrix.Vector
p4vasp.matrix.Vector" class="py-name" href="#" onclick="return doclink('link-270', 'Vector', 'link-245');">Vector</a></tt><tt class="py-op">(</tt><tt class="py-name">a</tt><tt class="py-op">)</tt> </tt>
<a name="L488"></a><tt class="py-lineno">488</tt>  <tt class="py-line">        <tt class="py-keyword">if</tt> <tt class="py-keyword">not</tt> <tt id="link-271" class="py-name"><a title="p4vasp.cmatrix.isCVector" class="py-name" href="#" onclick="return doclink('link-271', 'isCVector', 'link-246');">isCVector</a></tt><tt class="py-op">(</tt><tt class="py-name">b</tt><tt class="py-op">)</tt><tt class="py-op">:</tt> </tt>
<a name="L489"></a><tt class="py-lineno">489</tt>  <tt class="py-line">            <tt class="py-name">b</tt><tt class="py-op">=</tt><tt id="link-272" class="py-name"><a title="p4vasp.cmatrix.Vector
p4vasp.matrix.Vector" class="py-name" href="#" onclick="return doclink('link-272', 'Vector', 'link-245');">Vector</a></tt><tt class="py-op">(</tt><tt class="py-name">b</tt><tt class="py-op">)</tt> </tt>
<a name="L490"></a><tt class="py-lineno">490</tt>  <tt class="py-line">        <tt class="py-keyword">return</tt> <tt class="py-name">_cp4vasp</tt><tt class="py-op">.</tt><tt class="py-name">Structure_mindistCartVectors</tt><tt class="py-op">(</tt><tt class="py-name">self</tt><tt class="py-op">.</tt><tt class="py-name">this</tt><tt class="py-op">,</tt><tt class="py-name">a</tt><tt class="py-op">.</tt><tt class="py-name">pointer</tt><tt class="py-op">,</tt><tt class="py-name">b</tt><tt class="py-op">.</tt><tt class="py-name">pointer</tt><tt class="py-op">)</tt> </tt>
</div><a name="L491"></a><tt class="py-lineno">491</tt>  <tt class="py-line"> </tt>
<a name="Structure.mindistDirVectors"></a><div id="Structure.mindistDirVectors-def"><a name="L492"></a><tt class="py-lineno">492</tt> <a class="py-toggle" href="#" id="Structure.mindistDirVectors-toggle" onclick="return toggle('Structure.mindistDirVectors');">-</a><tt class="py-line">    <tt class="py-keyword">def</tt> <a class="py-def-name" href="p4vasp.cStructure.Structure-class.html#mindistDirVectors">mindistDirVectors</a><tt class="py-op">(</tt><tt class="py-param">self</tt><tt class="py-op">,</tt><tt class="py-param">a</tt><tt class="py-op">,</tt><tt class="py-param">b</tt><tt class="py-op">)</tt><tt class="py-op">:</tt> </tt>
</div><div id="Structure.mindistDirVectors-collapsed" style="display:none;" pad="+++" indent="++++++++"></div><div id="Structure.mindistDirVectors-expanded"><a name="L493"></a><tt class="py-lineno">493</tt>  <tt class="py-line">        <tt class="py-keyword">if</tt> <tt class="py-keyword">not</tt> <tt id="link-273" class="py-name"><a title="p4vasp.cmatrix.isCVector" class="py-name" href="#" onclick="return doclink('link-273', 'isCVector', 'link-246');">isCVector</a></tt><tt class="py-op">(</tt><tt class="py-name">a</tt><tt class="py-op">)</tt><tt class="py-op">:</tt> </tt>
<a name="L494"></a><tt class="py-lineno">494</tt>  <tt class="py-line">            <tt class="py-name">a</tt><tt class="py-op">=</tt><tt id="link-274" class="py-name"><a title="p4vasp.cmatrix.Vector
p4vasp.matrix.Vector" class="py-name" href="#" onclick="return doclink('link-274', 'Vector', 'link-245');">Vector</a></tt><tt class="py-op">(</tt><tt class="py-name">a</tt><tt class="py-op">)</tt> </tt>
<a name="L495"></a><tt class="py-lineno">495</tt>  <tt class="py-line">        <tt class="py-keyword">if</tt> <tt class="py-keyword">not</tt> <tt id="link-275" class="py-name"><a title="p4vasp.cmatrix.isCVector" class="py-name" href="#" onclick="return doclink('link-275', 'isCVector', 'link-246');">isCVector</a></tt><tt class="py-op">(</tt><tt class="py-name">b</tt><tt class="py-op">)</tt><tt class="py-op">:</tt> </tt>
<a name="L496"></a><tt class="py-lineno">496</tt>  <tt class="py-line">            <tt class="py-name">b</tt><tt class="py-op">=</tt><tt id="link-276" class="py-name"><a title="p4vasp.cmatrix.Vector
p4vasp.matrix.Vector" class="py-name" href="#" onclick="return doclink('link-276', 'Vector', 'link-245');">Vector</a></tt><tt class="py-op">(</tt><tt class="py-name">b</tt><tt class="py-op">)</tt> </tt>
<a name="L497"></a><tt class="py-lineno">497</tt>  <tt class="py-line">        <tt class="py-keyword">return</tt> <tt class="py-name">_cp4vasp</tt><tt class="py-op">.</tt><tt class="py-name">Structure_mindistDirVectors</tt><tt class="py-op">(</tt><tt class="py-name">self</tt><tt class="py-op">.</tt><tt class="py-name">this</tt><tt class="py-op">,</tt><tt class="py-name">a</tt><tt class="py-op">.</tt><tt class="py-name">pointer</tt><tt class="py-op">,</tt><tt class="py-name">b</tt><tt class="py-op">.</tt><tt class="py-name">pointer</tt><tt class="py-op">)</tt> </tt>
</div><a name="L498"></a><tt class="py-lineno">498</tt>  <tt class="py-line"> </tt>
<a name="Structure.setStructure"></a><div id="Structure.setStructure-def"><a name="L499"></a><tt class="py-lineno">499</tt> <a class="py-toggle" href="#" id="Structure.setStructure-toggle" onclick="return toggle('Structure.setStructure');">-</a><tt class="py-line">    <tt class="py-keyword">def</tt> <a class="py-def-name" href="p4vasp.cStructure.Structure-class.html#setStructure">setStructure</a><tt class="py-op">(</tt><tt class="py-param">self</tt><tt class="py-op">,</tt><tt class="py-param">s</tt><tt class="py-op">)</tt><tt class="py-op">:</tt> </tt>
</div><div id="Structure.setStructure-collapsed" style="display:none;" pad="+++" indent="++++++++"></div><div id="Structure.setStructure-expanded"><a name="L500"></a><tt class="py-lineno">500</tt>  <tt class="py-line">        <tt class="py-keyword">if</tt> <tt class="py-name">isinstance</tt><tt class="py-op">(</tt><tt class="py-name">s</tt><tt class="py-op">,</tt><tt class="py-name">cp4vasp</tt><tt class="py-op">.</tt><tt id="link-277" class="py-name"><a title="p4vasp.Structure
p4vasp.Structure.Structure
p4vasp.cStructure.Structure" class="py-name" href="#" onclick="return doclink('link-277', 'Structure', 'link-3');">Structure</a></tt><tt class="py-op">)</tt><tt class="py-op">:</tt> </tt>
<a name="L501"></a><tt class="py-lineno">501</tt>  <tt class="py-line">            <tt class="py-name">_cp4vasp</tt><tt class="py-op">.</tt><tt class="py-name">Structure_setStructure</tt><tt class="py-op">(</tt><tt class="py-name">self</tt><tt class="py-op">.</tt><tt class="py-name">this</tt><tt class="py-op">,</tt><tt class="py-name">s</tt><tt class="py-op">)</tt> </tt>
<a name="L502"></a><tt class="py-lineno">502</tt>  <tt class="py-line">        <tt class="py-keyword">elif</tt> <tt class="py-name">isinstance</tt><tt class="py-op">(</tt><tt class="py-name">s</tt><tt class="py-op">,</tt><tt id="link-278" class="py-name"><a title="p4vasp" class="py-name" href="#" onclick="return doclink('link-278', 'p4vasp', 'link-0');">p4vasp</a></tt><tt class="py-op">.</tt><tt id="link-279" class="py-name"><a title="p4vasp.Structure
p4vasp.Structure.Structure
p4vasp.cStructure.Structure" class="py-name" href="#" onclick="return doclink('link-279', 'Structure', 'link-3');">Structure</a></tt><tt class="py-op">.</tt><tt id="link-280" class="py-name"><a title="p4vasp.Structure
p4vasp.Structure.Structure
p4vasp.cStructure.Structure" class="py-name" href="#" onclick="return doclink('link-280', 'Structure', 'link-3');">Structure</a></tt><tt class="py-op">)</tt><tt class="py-op">:</tt> </tt>
<a name="L503"></a><tt class="py-lineno">503</tt>  <tt class="py-line">            <tt class="py-name">self</tt><tt class="py-op">.</tt><tt class="py-name">info</tt><tt class="py-op">.</tt><tt id="link-281" class="py-name"><a title="p4vasp.cStructure.AtomInfo.setAtomInfo" class="py-name" href="#" onclick="return doclink('link-281', 'setAtomInfo', 'link-86');">setAtomInfo</a></tt><tt class="py-op">(</tt><tt class="py-name">s</tt><tt class="py-op">.</tt><tt class="py-name">info</tt><tt class="py-op">)</tt> </tt>
<a name="L504"></a><tt class="py-lineno">504</tt>  <tt class="py-line">            <tt class="py-name">self</tt><tt class="py-op">.</tt><tt class="py-name">scaling</tt><tt class="py-op">=</tt><tt class="py-name">s</tt><tt class="py-op">.</tt><tt class="py-name">scaling</tt> </tt>
<a name="L505"></a><tt class="py-lineno">505</tt>  <tt class="py-line">            <tt class="py-name">self</tt><tt class="py-op">.</tt><tt class="py-name">basis</tt><tt class="py-op">[</tt><tt class="py-number">0</tt><tt class="py-op">]</tt><tt class="py-op">=</tt><tt class="py-name">s</tt><tt class="py-op">.</tt><tt class="py-name">basis</tt><tt class="py-op">[</tt><tt class="py-number">0</tt><tt class="py-op">]</tt> </tt>
<a name="L506"></a><tt class="py-lineno">506</tt>  <tt class="py-line">            <tt class="py-name">self</tt><tt class="py-op">.</tt><tt class="py-name">basis</tt><tt class="py-op">[</tt><tt class="py-number">1</tt><tt class="py-op">]</tt><tt class="py-op">=</tt><tt class="py-name">s</tt><tt class="py-op">.</tt><tt class="py-name">basis</tt><tt class="py-op">[</tt><tt class="py-number">1</tt><tt class="py-op">]</tt> </tt>
<a name="L507"></a><tt class="py-lineno">507</tt>  <tt class="py-line">            <tt class="py-name">self</tt><tt class="py-op">.</tt><tt class="py-name">basis</tt><tt class="py-op">[</tt><tt class="py-number">2</tt><tt class="py-op">]</tt><tt class="py-op">=</tt><tt class="py-name">s</tt><tt class="py-op">.</tt><tt class="py-name">basis</tt><tt class="py-op">[</tt><tt class="py-number">2</tt><tt class="py-op">]</tt> </tt>
<a name="L508"></a><tt class="py-lineno">508</tt>  <tt class="py-line">            <tt class="py-name">self</tt><tt class="py-op">.</tt><tt id="link-282" class="py-name" targets="Method p4vasp.Structure.Structure.updateRecipBasis()=p4vasp.Structure.Structure-class.html#updateRecipBasis,Method p4vasp.cStructure.Structure.updateRecipBasis()=p4vasp.cStructure.Structure-class.html#updateRecipBasis"><a title="p4vasp.Structure.Structure.updateRecipBasis
p4vasp.cStructure.Structure.updateRecipBasis" class="py-name" href="#" onclick="return doclink('link-282', 'updateRecipBasis', 'link-282');">updateRecipBasis</a></tt><tt class="py-op">(</tt><tt class="py-op">)</tt> </tt>
<a name="L509"></a><tt class="py-lineno">509</tt>  <tt class="py-line">            <tt class="py-keyword">if</tt> <tt class="py-name">s</tt><tt class="py-op">.</tt><tt class="py-name">coordinates</tt><tt class="py-op">:</tt> </tt>
<a name="L510"></a><tt class="py-lineno">510</tt>  <tt class="py-line">                <tt class="py-name">self</tt><tt class="py-op">.</tt><tt class="py-name">coordinates</tt><tt class="py-op">=</tt><tt class="py-name">s</tt><tt class="py-op">.</tt><tt class="py-name">coordinates</tt> </tt>
<a name="L511"></a><tt class="py-lineno">511</tt>  <tt class="py-line">            <tt class="py-keyword">else</tt><tt class="py-op">:</tt> </tt>
<a name="L512"></a><tt class="py-lineno">512</tt>  <tt class="py-line">                <tt class="py-name">self</tt><tt class="py-op">.</tt><tt class="py-name">coordinates</tt><tt class="py-op">=</tt><tt class="py-string">"Direct"</tt> </tt>
<a name="L513"></a><tt class="py-lineno">513</tt>  <tt class="py-line">            <tt class="py-keyword">if</tt> <tt class="py-name">s</tt><tt class="py-op">.</tt><tt class="py-name">comment</tt><tt class="py-op">:</tt> </tt>
<a name="L514"></a><tt class="py-lineno">514</tt>  <tt class="py-line">                <tt class="py-name">self</tt><tt class="py-op">.</tt><tt class="py-name">comment</tt><tt class="py-op">=</tt><tt class="py-name">str</tt><tt class="py-op">(</tt><tt class="py-name">s</tt><tt class="py-op">.</tt><tt class="py-name">comment</tt><tt class="py-op">)</tt> </tt>
<a name="L515"></a><tt class="py-lineno">515</tt>  <tt class="py-line">            <tt class="py-keyword">else</tt><tt class="py-op">:</tt> </tt>
<a name="L516"></a><tt class="py-lineno">516</tt>  <tt class="py-line">                <tt class="py-name">self</tt><tt class="py-op">.</tt><tt class="py-name">comment</tt><tt class="py-op">=</tt><tt class="py-string">""</tt> </tt>
<a name="L517"></a><tt class="py-lineno">517</tt>  <tt class="py-line"> </tt>
<a name="L518"></a><tt class="py-lineno">518</tt>  <tt class="py-line">            <tt class="py-name">self</tt><tt class="py-op">.</tt><tt id="link-283" class="py-name"><a title="p4vasp.Structure.AtomInfo.allocate
p4vasp.Structure.AtomtypesArray.allocate
p4vasp.cStructure.Structure.allocate" class="py-name" href="#" onclick="return doclink('link-283', 'allocate', 'link-109');">allocate</a></tt><tt class="py-op">(</tt><tt id="link-284" class="py-name"><a title="p4vasp.cStructure.Structure.len" class="py-name" href="#" onclick="return doclink('link-284', 'len', 'link-49');">len</a></tt><tt class="py-op">(</tt><tt class="py-name">s</tt><tt class="py-op">)</tt><tt class="py-op">)</tt> </tt>
<a name="L519"></a><tt class="py-lineno">519</tt>  <tt class="py-line">            <tt class="py-keyword">for</tt> <tt id="link-285" class="py-name"><a title="p4vasp.paint3d.OpenGLPaint3D.i" class="py-name" href="#" onclick="return doclink('link-285', 'i', 'link-51');">i</a></tt> <tt class="py-keyword">in</tt> <tt class="py-name">range</tt><tt class="py-op">(</tt><tt id="link-286" class="py-name"><a title="p4vasp.cStructure.Structure.len" class="py-name" href="#" onclick="return doclink('link-286', 'len', 'link-49');">len</a></tt><tt class="py-op">(</tt><tt class="py-name">s</tt><tt class="py-op">)</tt><tt class="py-op">)</tt><tt class="py-op">:</tt> </tt>
<a name="L520"></a><tt class="py-lineno">520</tt>  <tt class="py-line">                <tt class="py-name">self</tt><tt class="py-op">[</tt><tt id="link-287" class="py-name"><a title="p4vasp.paint3d.OpenGLPaint3D.i" class="py-name" href="#" onclick="return doclink('link-287', 'i', 'link-51');">i</a></tt><tt class="py-op">]</tt><tt class="py-op">=</tt><tt class="py-name">s</tt><tt class="py-op">[</tt><tt id="link-288" class="py-name"><a title="p4vasp.paint3d.OpenGLPaint3D.i" class="py-name" href="#" onclick="return doclink('link-288', 'i', 'link-51');">i</a></tt><tt class="py-op">]</tt> </tt>
<a name="L521"></a><tt class="py-lineno">521</tt>  <tt class="py-line">            <tt class="py-name">sel</tt><tt class="py-op">=</tt><tt class="py-name">s</tt><tt class="py-op">.</tt><tt class="py-name">selective</tt> </tt>
<a name="L522"></a><tt class="py-lineno">522</tt>  <tt class="py-line">            <tt class="py-keyword">if</tt> <tt class="py-name">s</tt><tt class="py-op">.</tt><tt id="link-289" class="py-name" targets="Method p4vasp.Structure.Structure.isSelective()=p4vasp.Structure.Structure-class.html#isSelective,Method p4vasp.cStructure.Structure.isSelective()=p4vasp.cStructure.Structure-class.html#isSelective"><a title="p4vasp.Structure.Structure.isSelective
p4vasp.cStructure.Structure.isSelective" class="py-name" href="#" onclick="return doclink('link-289', 'isSelective', 'link-289');">isSelective</a></tt><tt class="py-op">(</tt><tt class="py-op">)</tt><tt class="py-op">:</tt> </tt>
<a name="L523"></a><tt class="py-lineno">523</tt>  <tt class="py-line">                <tt class="py-name">self</tt><tt class="py-op">.</tt><tt id="link-290" class="py-name" targets="Method p4vasp.Structure.Structure.setSelective()=p4vasp.Structure.Structure-class.html#setSelective,Method p4vasp.cStructure.Structure.setSelective()=p4vasp.cStructure.Structure-class.html#setSelective"><a title="p4vasp.Structure.Structure.setSelective
p4vasp.cStructure.Structure.setSelective" class="py-name" href="#" onclick="return doclink('link-290', 'setSelective', 'link-290');">setSelective</a></tt><tt class="py-op">(</tt><tt class="py-number">1</tt><tt class="py-op">)</tt> </tt>
<a name="L524"></a><tt class="py-lineno">524</tt>  <tt class="py-line">                <tt class="py-keyword">for</tt> <tt id="link-291" class="py-name"><a title="p4vasp.paint3d.OpenGLPaint3D.i" class="py-name" href="#" onclick="return doclink('link-291', 'i', 'link-51');">i</a></tt> <tt class="py-keyword">in</tt> <tt class="py-name">range</tt><tt class="py-op">(</tt><tt id="link-292" class="py-name"><a title="p4vasp.cStructure.Structure.len" class="py-name" href="#" onclick="return doclink('link-292', 'len', 'link-49');">len</a></tt><tt class="py-op">(</tt><tt class="py-name">s</tt><tt class="py-op">)</tt><tt class="py-op">)</tt><tt class="py-op">:</tt> </tt>
<a name="L525"></a><tt class="py-lineno">525</tt>  <tt class="py-line">                    <tt class="py-name">v</tt><tt class="py-op">=</tt><tt class="py-name">sel</tt><tt class="py-op">[</tt><tt id="link-293" class="py-name"><a title="p4vasp.paint3d.OpenGLPaint3D.i" class="py-name" href="#" onclick="return doclink('link-293', 'i', 'link-51');">i</a></tt><tt class="py-op">]</tt> </tt>
<a name="L526"></a><tt class="py-lineno">526</tt>  <tt class="py-line">                    <tt class="py-name">self</tt><tt class="py-op">.</tt><tt id="link-294" class="py-name"><a title="p4vasp.cStructure.Structure.setSelectiveDOF" class="py-name" href="#" onclick="return doclink('link-294', 'setSelectiveDOF', 'link-201');">setSelectiveDOF</a></tt><tt class="py-op">(</tt><tt class="py-number">3</tt><tt class="py-op">*</tt><tt id="link-295" class="py-name"><a title="p4vasp.paint3d.OpenGLPaint3D.i" class="py-name" href="#" onclick="return doclink('link-295', 'i', 'link-51');">i</a></tt><tt class="py-op">+</tt><tt class="py-number">0</tt><tt class="py-op">,</tt><tt class="py-name">v</tt><tt class="py-op">[</tt><tt class="py-number">0</tt><tt class="py-op">]</tt><tt class="py-op">)</tt> </tt>
<a name="L527"></a><tt class="py-lineno">527</tt>  <tt class="py-line">                    <tt class="py-name">self</tt><tt class="py-op">.</tt><tt id="link-296" class="py-name"><a title="p4vasp.cStructure.Structure.setSelectiveDOF" class="py-name" href="#" onclick="return doclink('link-296', 'setSelectiveDOF', 'link-201');">setSelectiveDOF</a></tt><tt class="py-op">(</tt><tt class="py-number">3</tt><tt class="py-op">*</tt><tt id="link-297" class="py-name"><a title="p4vasp.paint3d.OpenGLPaint3D.i" class="py-name" href="#" onclick="return doclink('link-297', 'i', 'link-51');">i</a></tt><tt class="py-op">+</tt><tt class="py-number">1</tt><tt class="py-op">,</tt><tt class="py-name">v</tt><tt class="py-op">[</tt><tt class="py-number">1</tt><tt class="py-op">]</tt><tt class="py-op">)</tt> </tt>
<a name="L528"></a><tt class="py-lineno">528</tt>  <tt class="py-line">                    <tt class="py-name">self</tt><tt class="py-op">.</tt><tt id="link-298" class="py-name"><a title="p4vasp.cStructure.Structure.setSelectiveDOF" class="py-name" href="#" onclick="return doclink('link-298', 'setSelectiveDOF', 'link-201');">setSelectiveDOF</a></tt><tt class="py-op">(</tt><tt class="py-number">3</tt><tt class="py-op">*</tt><tt id="link-299" class="py-name"><a title="p4vasp.paint3d.OpenGLPaint3D.i" class="py-name" href="#" onclick="return doclink('link-299', 'i', 'link-51');">i</a></tt><tt class="py-op">+</tt><tt class="py-number">2</tt><tt class="py-op">,</tt><tt class="py-name">v</tt><tt class="py-op">[</tt><tt class="py-number">2</tt><tt class="py-op">]</tt><tt class="py-op">)</tt> </tt>
</div><a name="L529"></a><tt class="py-lineno">529</tt>  <tt class="py-line"> </tt>
<a name="Structure.getNumberOfSpecies"></a><div id="Structure.getNumberOfSpecies-def"><a name="L530"></a><tt class="py-lineno">530</tt> <a class="py-toggle" href="#" id="Structure.getNumberOfSpecies-toggle" onclick="return toggle('Structure.getNumberOfSpecies');">-</a><tt class="py-line">    <tt class="py-keyword">def</tt> <a class="py-def-name" href="p4vasp.cStructure.Structure-class.html#getNumberOfSpecies">getNumberOfSpecies</a><tt class="py-op">(</tt><tt class="py-param">self</tt><tt class="py-op">)</tt><tt class="py-op">:</tt> </tt>
</div><div id="Structure.getNumberOfSpecies-collapsed" style="display:none;" pad="+++" indent="++++++++"></div><div id="Structure.getNumberOfSpecies-expanded"><a name="L531"></a><tt class="py-lineno">531</tt>  <tt class="py-line">        <tt class="py-keyword">return</tt> <tt class="py-name">_cp4vasp</tt><tt class="py-op">.</tt><tt class="py-name">Structure_getNumberOfSpecies</tt><tt class="py-op">(</tt><tt class="py-name">self</tt><tt class="py-op">.</tt><tt class="py-name">this</tt><tt class="py-op">)</tt> </tt>
</div><a name="L532"></a><tt class="py-lineno">532</tt>  <tt class="py-line"> </tt>
<a name="Structure.getRecord"></a><div id="Structure.getRecord-def"><a name="L533"></a><tt class="py-lineno">533</tt> <a class="py-toggle" href="#" id="Structure.getRecord-toggle" onclick="return toggle('Structure.getRecord');">-</a><tt class="py-line">    <tt class="py-keyword">def</tt> <a class="py-def-name" href="p4vasp.cStructure.Structure-class.html#getRecord">getRecord</a><tt class="py-op">(</tt><tt class="py-param">self</tt><tt class="py-op">,</tt><tt class="py-param">i</tt><tt class="py-op">)</tt><tt class="py-op">:</tt> </tt>
</div><div id="Structure.getRecord-collapsed" style="display:none;" pad="+++" indent="++++++++"></div><div id="Structure.getRecord-expanded"><a name="L534"></a><tt class="py-lineno">534</tt>  <tt class="py-line">        <tt class="py-name">val</tt> <tt class="py-op">=</tt> <tt class="py-name">apply</tt><tt class="py-op">(</tt><tt class="py-name">_cp4vasp</tt><tt class="py-op">.</tt><tt class="py-name">Structure_getRecord</tt><tt class="py-op">,</tt><tt class="py-name">args</tt><tt class="py-op">)</tt> </tt>
<a name="L535"></a><tt class="py-lineno">535</tt>  <tt class="py-line">        <tt class="py-keyword">if</tt> <tt class="py-name">val</tt><tt class="py-op">:</tt> <tt class="py-name">val</tt> <tt class="py-op">=</tt> <tt class="py-name">AtomtypesRecordPtr</tt><tt class="py-op">(</tt><tt class="py-name">val</tt><tt class="py-op">)</tt> </tt>
<a name="L536"></a><tt class="py-lineno">536</tt>  <tt class="py-line">        <tt class="py-keyword">return</tt> <tt class="py-name">val</tt> </tt>
</div><a name="L537"></a><tt class="py-lineno">537</tt>  <tt class="py-line"> </tt>
<a name="L538"></a><tt class="py-lineno">538</tt>  <tt class="py-line">    <tt id="link-300" class="py-name"><a title="p4vasp.cStructure.AtomtypesRecord.__setmethods__
p4vasp.cStructure.Structure.__setmethods__" class="py-name" href="#" onclick="return doclink('link-300', '__setmethods__', 'link-25');">__setmethods__</a></tt> <tt class="py-op">=</tt> <tt class="py-op">{</tt><tt class="py-op">}</tt> </tt>
<a name="L539"></a><tt class="py-lineno">539</tt>  <tt class="py-line">    <tt class="py-keyword">for</tt> <tt class="py-name">_s</tt> <tt class="py-keyword">in</tt> <tt class="py-op">[</tt><tt class="py-op">]</tt><tt class="py-op">:</tt> <tt id="link-301" class="py-name"><a title="p4vasp.cStructure.AtomtypesRecord.__setmethods__
p4vasp.cStructure.Structure.__setmethods__" class="py-name" href="#" onclick="return doclink('link-301', '__setmethods__', 'link-25');">__setmethods__</a></tt><tt class="py-op">.</tt><tt id="link-302" class="py-name"><a title="p4vasp.Dictionary.StructuredDictionary.update
p4vasp.applet.Applet.GraphApplet.update
p4vasp.applet.ElectronicApplet.ElectronicApplet.update
p4vasp.applet.GraphWindowApplet.GraphWindowApplet.update" class="py-name" href="#" onclick="return doclink('link-302', 'update', 'link-27');">update</a></tt><tt class="py-op">(</tt><tt class="py-name">_s</tt><tt class="py-op">.</tt><tt id="link-303" class="py-name"><a title="p4vasp.cStructure.AtomtypesRecord.__setmethods__
p4vasp.cStructure.Structure.__setmethods__" class="py-name" href="#" onclick="return doclink('link-303', '__setmethods__', 'link-25');">__setmethods__</a></tt><tt class="py-op">)</tt> </tt>
<a name="L540"></a><tt class="py-lineno">540</tt>  <tt class="py-line">    <tt id="link-304" class="py-name"><a title="p4vasp.cStructure.AtomtypesRecord.__setmethods__
p4vasp.cStructure.Structure.__setmethods__" class="py-name" href="#" onclick="return doclink('link-304', '__setmethods__', 'link-25');">__setmethods__</a></tt><tt class="py-op">.</tt><tt id="link-305" class="py-name"><a title="p4vasp.Dictionary.StructuredDictionary.update
p4vasp.applet.Applet.GraphApplet.update
p4vasp.applet.ElectronicApplet.ElectronicApplet.update
p4vasp.applet.GraphWindowApplet.GraphWindowApplet.update" class="py-name" href="#" onclick="return doclink('link-305', 'update', 'link-27');">update</a></tt><tt class="py-op">(</tt><tt class="py-op">{</tt> </tt>
<a name="L541"></a><tt class="py-lineno">541</tt>  <tt class="py-line">        <tt class="py-string">"comment"</tt>         <tt class="py-op">:</tt> <tt class="py-name">_cp4vasp</tt><tt class="py-op">.</tt><tt class="py-name">Structure_comment_set</tt><tt class="py-op">,</tt> </tt>
<a name="L542"></a><tt class="py-lineno">542</tt>  <tt class="py-line">        <tt class="py-string">"coordinates"</tt>     <tt class="py-op">:</tt> <tt class="py-name">_cp4vasp</tt><tt class="py-op">.</tt><tt class="py-name">Structure_coordinates_set</tt><tt class="py-op">,</tt> </tt>
<a name="L543"></a><tt class="py-lineno">543</tt>  <tt class="py-line">        <tt class="py-string">"scaling_flag"</tt>    <tt class="py-op">:</tt> <tt class="py-name">_cp4vasp</tt><tt class="py-op">.</tt><tt class="py-name">Structure_scaling_flag_set</tt><tt class="py-op">,</tt> </tt>
<a name="L544"></a><tt class="py-lineno">544</tt>  <tt class="py-line">        <tt class="py-string">"allocation_step"</tt> <tt class="py-op">:</tt> <tt class="py-name">_cp4vasp</tt><tt class="py-op">.</tt><tt class="py-name">Structure_allocation_step_set</tt><tt class="py-op">,</tt> </tt>
<a name="L545"></a><tt class="py-lineno">545</tt>  <tt class="py-line">    <tt class="py-op">}</tt><tt class="py-op">)</tt> </tt>
<a name="Structure.__setattr__"></a><div id="Structure.__setattr__-def"><a name="L546"></a><tt class="py-lineno">546</tt> <a class="py-toggle" href="#" id="Structure.__setattr__-toggle" onclick="return toggle('Structure.__setattr__');">-</a><tt class="py-line">    <tt class="py-keyword">def</tt> <a class="py-def-name" href="p4vasp.cStructure.Structure-class.html#__setattr__">__setattr__</a><tt class="py-op">(</tt><tt class="py-param">self</tt><tt class="py-op">,</tt><tt class="py-param">name</tt><tt class="py-op">,</tt><tt class="py-param">value</tt><tt class="py-op">)</tt><tt class="py-op">:</tt> </tt>
</div><div id="Structure.__setattr__-collapsed" style="display:none;" pad="+++" indent="++++++++"></div><div id="Structure.__setattr__-expanded"><a name="L547"></a><tt class="py-lineno">547</tt>  <tt class="py-line">        <tt class="py-keyword">if</tt> <tt class="py-op">(</tt><tt id="link-306" class="py-name"><a title="p4vasp.applet.Applet.Applet.name" class="py-name" href="#" onclick="return doclink('link-306', 'name', 'link-31');">name</a></tt> <tt class="py-op">==</tt> <tt class="py-string">"this"</tt><tt class="py-op">)</tt> <tt class="py-keyword">or</tt> <tt class="py-op">(</tt><tt id="link-307" class="py-name"><a title="p4vasp.applet.Applet.Applet.name" class="py-name" href="#" onclick="return doclink('link-307', 'name', 'link-31');">name</a></tt> <tt class="py-op">==</tt> <tt class="py-string">"thisown"</tt><tt class="py-op">)</tt><tt class="py-op">:</tt> <tt class="py-name">self</tt><tt class="py-op">.</tt><tt class="py-name">__dict__</tt><tt class="py-op">[</tt><tt id="link-308" class="py-name"><a title="p4vasp.applet.Applet.Applet.name" class="py-name" href="#" onclick="return doclink('link-308', 'name', 'link-31');">name</a></tt><tt class="py-op">]</tt> <tt class="py-op">=</tt> <tt class="py-name">value</tt><tt class="py-op">;</tt> <tt class="py-keyword">return</tt> </tt>
<a name="L548"></a><tt class="py-lineno">548</tt>  <tt class="py-line"> </tt>
<a name="L549"></a><tt class="py-lineno">549</tt>  <tt class="py-line">        <tt class="py-keyword">if</tt> <tt id="link-309" class="py-name"><a title="p4vasp.applet.Applet.Applet.name" class="py-name" href="#" onclick="return doclink('link-309', 'name', 'link-31');">name</a></tt><tt class="py-op">==</tt><tt class="py-string">"scaling"</tt><tt class="py-op">:</tt> </tt>
<a name="L550"></a><tt class="py-lineno">550</tt>  <tt class="py-line">            <tt class="py-keyword">if</tt> <tt id="link-310" class="py-name"><a title="p4vasp.cStructure.Structure.len" class="py-name" href="#" onclick="return doclink('link-310', 'len', 'link-49');">len</a></tt><tt class="py-op">(</tt><tt class="py-name">value</tt><tt class="py-op">)</tt><tt class="py-op">==</tt><tt class="py-number">1</tt><tt class="py-op">:</tt> </tt>
<a name="L551"></a><tt class="py-lineno">551</tt>  <tt class="py-line">                <tt class="py-name">self</tt><tt class="py-op">.</tt><tt class="py-name">scaling_flag</tt><tt class="py-op">=</tt><tt class="py-number">1</tt> </tt>
<a name="L552"></a><tt class="py-lineno">552</tt>  <tt class="py-line">                <tt class="py-name">self</tt><tt class="py-op">.</tt><tt id="link-311" class="py-name" targets="Method p4vasp.cStructure.Structure.setScaling()=p4vasp.cStructure.Structure-class.html#setScaling"><a title="p4vasp.cStructure.Structure.setScaling" class="py-name" href="#" onclick="return doclink('link-311', 'setScaling', 'link-311');">setScaling</a></tt><tt class="py-op">(</tt><tt class="py-number">0</tt><tt class="py-op">,</tt><tt class="py-name">value</tt><tt class="py-op">[</tt><tt class="py-number">0</tt><tt class="py-op">]</tt><tt class="py-op">)</tt> </tt>
<a name="L553"></a><tt class="py-lineno">553</tt>  <tt class="py-line">            <tt class="py-keyword">else</tt><tt class="py-op">:</tt> </tt>
<a name="L554"></a><tt class="py-lineno">554</tt>  <tt class="py-line">                <tt class="py-name">self</tt><tt class="py-op">.</tt><tt class="py-name">scaling_flag</tt><tt class="py-op">=</tt><tt class="py-number">3</tt> </tt>
<a name="L555"></a><tt class="py-lineno">555</tt>  <tt class="py-line">                <tt class="py-name">self</tt><tt class="py-op">.</tt><tt id="link-312" class="py-name"><a title="p4vasp.cStructure.Structure.setScaling" class="py-name" href="#" onclick="return doclink('link-312', 'setScaling', 'link-311');">setScaling</a></tt><tt class="py-op">(</tt><tt class="py-number">0</tt><tt class="py-op">,</tt><tt class="py-name">value</tt><tt class="py-op">[</tt><tt class="py-number">0</tt><tt class="py-op">]</tt><tt class="py-op">)</tt> </tt>
<a name="L556"></a><tt class="py-lineno">556</tt>  <tt class="py-line">                <tt class="py-name">self</tt><tt class="py-op">.</tt><tt id="link-313" class="py-name"><a title="p4vasp.cStructure.Structure.setScaling" class="py-name" href="#" onclick="return doclink('link-313', 'setScaling', 'link-311');">setScaling</a></tt><tt class="py-op">(</tt><tt class="py-number">1</tt><tt class="py-op">,</tt><tt class="py-name">value</tt><tt class="py-op">[</tt><tt class="py-number">1</tt><tt class="py-op">]</tt><tt class="py-op">)</tt> </tt>
<a name="L557"></a><tt class="py-lineno">557</tt>  <tt class="py-line">                <tt class="py-name">self</tt><tt class="py-op">.</tt><tt id="link-314" class="py-name"><a title="p4vasp.cStructure.Structure.setScaling" class="py-name" href="#" onclick="return doclink('link-314', 'setScaling', 'link-311');">setScaling</a></tt><tt class="py-op">(</tt><tt class="py-number">2</tt><tt class="py-op">,</tt><tt class="py-name">value</tt><tt class="py-op">[</tt><tt class="py-number">2</tt><tt class="py-op">]</tt><tt class="py-op">)</tt> </tt>
<a name="L558"></a><tt class="py-lineno">558</tt>  <tt class="py-line">            <tt class="py-keyword">return</tt> </tt>
<a name="L559"></a><tt class="py-lineno">559</tt>  <tt class="py-line">        <tt class="py-name">method</tt> <tt class="py-op">=</tt> <tt id="link-315" class="py-name"><a title="p4vasp.Structure
p4vasp.Structure.Structure
p4vasp.cStructure.Structure" class="py-name" href="#" onclick="return doclink('link-315', 'Structure', 'link-3');">Structure</a></tt><tt class="py-op">.</tt><tt id="link-316" class="py-name"><a title="p4vasp.cStructure.AtomtypesRecord.__setmethods__
p4vasp.cStructure.Structure.__setmethods__" class="py-name" href="#" onclick="return doclink('link-316', '__setmethods__', 'link-25');">__setmethods__</a></tt><tt class="py-op">.</tt><tt id="link-317" class="py-name"><a title="p4vasp.ODPdom.AttributeList.get
p4vasp.ODPdom.NamedNodeMap.get
p4vasp.Property.Property.get
p4vasp.cStructure.Structure.get
p4vasp.cmatrix.Matrix.get
p4vasp.cmatrix.Vector.get
p4vasp.db.Query.get
p4vasp.matrix.Matrix.get
p4vasp.matrix.Vector.get
p4vasp.paint3d.Paint3DInterface.Paint3DRecorder.get" class="py-name" href="#" onclick="return doclink('link-317', 'get', 'link-35');">get</a></tt><tt class="py-op">(</tt><tt id="link-318" class="py-name"><a title="p4vasp.applet.Applet.Applet.name" class="py-name" href="#" onclick="return doclink('link-318', 'name', 'link-31');">name</a></tt><tt class="py-op">,</tt><tt class="py-name">None</tt><tt class="py-op">)</tt> </tt>
<a name="L560"></a><tt class="py-lineno">560</tt>  <tt class="py-line">        <tt class="py-keyword">if</tt> <tt class="py-name">method</tt><tt class="py-op">:</tt> <tt class="py-keyword">return</tt> <tt class="py-name">method</tt><tt class="py-op">(</tt><tt class="py-name">self</tt><tt class="py-op">.</tt><tt class="py-name">this</tt><tt class="py-op">,</tt><tt class="py-name">value</tt><tt class="py-op">)</tt> </tt>
<a name="L561"></a><tt class="py-lineno">561</tt>  <tt class="py-line">        <tt class="py-name">self</tt><tt class="py-op">.</tt><tt class="py-name">__dict__</tt><tt class="py-op">[</tt><tt id="link-319" class="py-name"><a title="p4vasp.applet.Applet.Applet.name" class="py-name" href="#" onclick="return doclink('link-319', 'name', 'link-31');">name</a></tt><tt class="py-op">]</tt> <tt class="py-op">=</tt> <tt class="py-name">value</tt> </tt>
</div><a name="L562"></a><tt class="py-lineno">562</tt>  <tt class="py-line"> </tt>
<a name="L563"></a><tt class="py-lineno">563</tt>  <tt class="py-line">    <tt id="link-320" class="py-name"><a title="p4vasp.cStructure.AtomInfo.__getmethods__
p4vasp.cStructure.AtomtypesRecord.__getmethods__
p4vasp.cStructure.Structure.__getmethods__" class="py-name" href="#" onclick="return doclink('link-320', '__getmethods__', 'link-38');">__getmethods__</a></tt> <tt class="py-op">=</tt> <tt class="py-op">{</tt><tt class="py-op">}</tt> </tt>
<a name="L564"></a><tt class="py-lineno">564</tt>  <tt class="py-line"> </tt>
<a name="L565"></a><tt class="py-lineno">565</tt>  <tt class="py-line">    <tt class="py-keyword">for</tt> <tt class="py-name">_s</tt> <tt class="py-keyword">in</tt> <tt class="py-op">[</tt><tt class="py-op">]</tt><tt class="py-op">:</tt> <tt id="link-321" class="py-name"><a title="p4vasp.cStructure.AtomInfo.__getmethods__
p4vasp.cStructure.AtomtypesRecord.__getmethods__
p4vasp.cStructure.Structure.__getmethods__" class="py-name" href="#" onclick="return doclink('link-321', '__getmethods__', 'link-38');">__getmethods__</a></tt><tt class="py-op">.</tt><tt id="link-322" class="py-name"><a title="p4vasp.Dictionary.StructuredDictionary.update
p4vasp.applet.Applet.GraphApplet.update
p4vasp.applet.ElectronicApplet.ElectronicApplet.update
p4vasp.applet.GraphWindowApplet.GraphWindowApplet.update" class="py-name" href="#" onclick="return doclink('link-322', 'update', 'link-27');">update</a></tt><tt class="py-op">(</tt><tt class="py-name">_s</tt><tt class="py-op">.</tt><tt id="link-323" class="py-name"><a title="p4vasp.cStructure.AtomInfo.__getmethods__
p4vasp.cStructure.AtomtypesRecord.__getmethods__
p4vasp.cStructure.Structure.__getmethods__" class="py-name" href="#" onclick="return doclink('link-323', '__getmethods__', 'link-38');">__getmethods__</a></tt><tt class="py-op">)</tt> </tt>
<a name="L566"></a><tt class="py-lineno">566</tt>  <tt class="py-line">    <tt id="link-324" class="py-name"><a title="p4vasp.cStructure.AtomInfo.__getmethods__
p4vasp.cStructure.AtomtypesRecord.__getmethods__
p4vasp.cStructure.Structure.__getmethods__" class="py-name" href="#" onclick="return doclink('link-324', '__getmethods__', 'link-38');">__getmethods__</a></tt><tt class="py-op">.</tt><tt id="link-325" class="py-name"><a title="p4vasp.Dictionary.StructuredDictionary.update
p4vasp.applet.Applet.GraphApplet.update
p4vasp.applet.ElectronicApplet.ElectronicApplet.update
p4vasp.applet.GraphWindowApplet.GraphWindowApplet.update" class="py-name" href="#" onclick="return doclink('link-325', 'update', 'link-27');">update</a></tt><tt class="py-op">(</tt><tt class="py-op">{</tt> </tt>
<a name="L567"></a><tt class="py-lineno">567</tt>  <tt class="py-line">        <tt class="py-string">"scaling_flag"</tt>          <tt class="py-op">:</tt> <tt class="py-name">_cp4vasp</tt><tt class="py-op">.</tt><tt class="py-name">Structure_scaling_flag_get</tt><tt class="py-op">,</tt> </tt>
<a name="L568"></a><tt class="py-lineno">568</tt>  <tt class="py-line">        <tt class="py-string">"scaling"</tt>               <tt class="py-op">:</tt> <tt class="py-name">_cp4vasp</tt><tt class="py-op">.</tt><tt class="py-name">Structure_scaling_get</tt><tt class="py-op">,</tt> </tt>
<a name="L569"></a><tt class="py-lineno">569</tt>  <tt class="py-line">        <tt class="py-string">"basis"</tt>                 <tt class="py-op">:</tt> <tt class="py-keyword">lambda</tt> <tt class="py-name">x</tt><tt class="py-op">:</tt> <tt id="link-326" class="py-name" targets="Class p4vasp.cmatrix.Matrix=p4vasp.cmatrix.Matrix-class.html,Class p4vasp.matrix.Matrix=p4vasp.matrix.Matrix-class.html"><a title="p4vasp.cmatrix.Matrix
p4vasp.matrix.Matrix" class="py-name" href="#" onclick="return doclink('link-326', 'Matrix', 'link-326');">Matrix</a></tt><tt class="py-op">(</tt><tt class="py-name">pointer</tt><tt class="py-op">=</tt><tt class="py-name">_cp4vasp</tt><tt class="py-op">.</tt><tt class="py-name">Structure_basis_get</tt><tt class="py-op">(</tt><tt class="py-name">x</tt><tt class="py-op">)</tt><tt class="py-op">,</tt><tt class="py-name">isref</tt><tt class="py-op">=</tt><tt class="py-number">1</tt><tt class="py-op">)</tt><tt class="py-op">,</tt> </tt>
<a name="L570"></a><tt class="py-lineno">570</tt>  <tt class="py-line">        <tt class="py-string">"rbasis"</tt>                <tt class="py-op">:</tt> <tt class="py-keyword">lambda</tt> <tt class="py-name">x</tt><tt class="py-op">:</tt> <tt id="link-327" class="py-name"><a title="p4vasp.cmatrix.Matrix
p4vasp.matrix.Matrix" class="py-name" href="#" onclick="return doclink('link-327', 'Matrix', 'link-326');">Matrix</a></tt><tt class="py-op">(</tt><tt class="py-name">pointer</tt><tt class="py-op">=</tt><tt class="py-name">_cp4vasp</tt><tt class="py-op">.</tt><tt class="py-name">Structure_rbasis_get</tt><tt class="py-op">(</tt><tt class="py-name">x</tt><tt class="py-op">)</tt><tt class="py-op">,</tt><tt class="py-name">isref</tt><tt class="py-op">=</tt><tt class="py-number">1</tt><tt class="py-op">)</tt><tt class="py-op">,</tt> </tt>
<a name="L571"></a><tt class="py-lineno">571</tt>  <tt class="py-line">        <tt class="py-string">"total_number_of_atoms"</tt> <tt class="py-op">:</tt> <tt class="py-name">_cp4vasp</tt><tt class="py-op">.</tt><tt class="py-name">Structure_total_number_of_atoms_get</tt><tt class="py-op">,</tt> </tt>
<a name="L572"></a><tt class="py-lineno">572</tt>  <tt class="py-line">        <tt class="py-string">"allocated"</tt>             <tt class="py-op">:</tt> <tt class="py-name">_cp4vasp</tt><tt class="py-op">.</tt><tt class="py-name">Structure_allocated_get</tt><tt class="py-op">,</tt> </tt>
<a name="L573"></a><tt class="py-lineno">573</tt>  <tt class="py-line">        <tt class="py-string">"allocation_step"</tt>       <tt class="py-op">:</tt> <tt class="py-name">_cp4vasp</tt><tt class="py-op">.</tt><tt class="py-name">Structure_allocation_step_get</tt><tt class="py-op">,</tt> </tt>
<a name="L574"></a><tt class="py-lineno">574</tt>  <tt class="py-line">        <tt class="py-string">"info"</tt>                  <tt class="py-op">:</tt> <tt class="py-keyword">lambda</tt> <tt class="py-name">x</tt> <tt class="py-op">:</tt> <tt id="link-328" class="py-name"><a title="p4vasp.Structure.AtomInfo
p4vasp.cStructure.AtomInfo" class="py-name" href="#" onclick="return doclink('link-328', 'AtomInfo', 'link-84');">AtomInfo</a></tt><tt class="py-op">(</tt><tt class="py-name">pointer</tt><tt class="py-op">=</tt><tt class="py-name">_cp4vasp</tt><tt class="py-op">.</tt><tt class="py-name">Structure_info_get</tt><tt class="py-op">(</tt><tt class="py-name">x</tt><tt class="py-op">)</tt><tt class="py-op">.</tt><tt class="py-name">this</tt><tt class="py-op">)</tt><tt class="py-op">,</tt> </tt>
<a name="L575"></a><tt class="py-lineno">575</tt>  <tt class="py-line">        <tt class="py-string">"comment"</tt>               <tt class="py-op">:</tt> <tt class="py-name">_cp4vasp</tt><tt class="py-op">.</tt><tt class="py-name">Structure_comment_get</tt><tt class="py-op">,</tt> </tt>
<a name="L576"></a><tt class="py-lineno">576</tt>  <tt class="py-line">        <tt class="py-string">"coordinates"</tt>           <tt class="py-op">:</tt> <tt class="py-name">_cp4vasp</tt><tt class="py-op">.</tt><tt class="py-name">Structure_coordinates_get</tt><tt class="py-op">,</tt> </tt>
<a name="L577"></a><tt class="py-lineno">577</tt>  <tt class="py-line">    <tt class="py-op">}</tt><tt class="py-op">)</tt> </tt>
<a name="Structure.__getattr__"></a><div id="Structure.__getattr__-def"><a name="L578"></a><tt class="py-lineno">578</tt> <a class="py-toggle" href="#" id="Structure.__getattr__-toggle" onclick="return toggle('Structure.__getattr__');">-</a><tt class="py-line">    <tt class="py-keyword">def</tt> <a class="py-def-name" href="p4vasp.cStructure.Structure-class.html#__getattr__">__getattr__</a><tt class="py-op">(</tt><tt class="py-param">self</tt><tt class="py-op">,</tt><tt class="py-param">name</tt><tt class="py-op">)</tt><tt class="py-op">:</tt> </tt>
</div><div id="Structure.__getattr__-collapsed" style="display:none;" pad="+++" indent="++++++++"></div><div id="Structure.__getattr__-expanded"><a name="L579"></a><tt class="py-lineno">579</tt>  <tt class="py-line">        <tt class="py-keyword">if</tt> <tt id="link-329" class="py-name"><a title="p4vasp.applet.Applet.Applet.name" class="py-name" href="#" onclick="return doclink('link-329', 'name', 'link-31');">name</a></tt><tt class="py-op">==</tt><tt class="py-string">"Natoms"</tt><tt class="py-op">:</tt> </tt>
<a name="L580"></a><tt class="py-lineno">580</tt>  <tt class="py-line">            <tt class="py-keyword">return</tt> <tt class="py-name">self</tt><tt class="py-op">.</tt><tt class="py-name">info</tt><tt class="py-op">.</tt><tt class="py-name">Natoms</tt> </tt>
<a name="L581"></a><tt class="py-lineno">581</tt>  <tt class="py-line">        <tt class="py-keyword">if</tt> <tt id="link-330" class="py-name"><a title="p4vasp.applet.Applet.Applet.name" class="py-name" href="#" onclick="return doclink('link-330', 'name', 'link-31');">name</a></tt><tt class="py-op">==</tt><tt class="py-string">"atomspertype"</tt><tt class="py-op">:</tt> </tt>
<a name="L582"></a><tt class="py-lineno">582</tt>  <tt class="py-line">            <tt class="py-keyword">return</tt> <tt class="py-name">self</tt><tt class="py-op">.</tt><tt class="py-name">info</tt><tt class="py-op">.</tt><tt class="py-name">atomspertype</tt> </tt>
<a name="L583"></a><tt class="py-lineno">583</tt>  <tt class="py-line">        <tt class="py-keyword">if</tt> <tt id="link-331" class="py-name"><a title="p4vasp.applet.Applet.Applet.name" class="py-name" href="#" onclick="return doclink('link-331', 'name', 'link-31');">name</a></tt><tt class="py-op">==</tt><tt class="py-string">"selective"</tt><tt class="py-op">:</tt> </tt>
<a name="L584"></a><tt class="py-lineno">584</tt>  <tt class="py-line">            <tt class="py-keyword">return</tt> <tt class="py-name">self</tt><tt class="py-op">.</tt><tt id="link-332" class="py-name" targets="Method p4vasp.cStructure.Structure.getselective_()=p4vasp.cStructure.Structure-class.html#getselective_"><a title="p4vasp.cStructure.Structure.getselective_" class="py-name" href="#" onclick="return doclink('link-332', 'getselective_', 'link-332');">getselective_</a></tt><tt class="py-op">(</tt><tt class="py-op">)</tt> </tt>
<a name="L585"></a><tt class="py-lineno">585</tt>  <tt class="py-line">        <tt class="py-keyword">if</tt> <tt id="link-333" class="py-name"><a title="p4vasp.applet.Applet.Applet.name" class="py-name" href="#" onclick="return doclink('link-333', 'name', 'link-31');">name</a></tt><tt class="py-op">==</tt><tt class="py-string">"scaling"</tt><tt class="py-op">:</tt> </tt>
<a name="L586"></a><tt class="py-lineno">586</tt>  <tt class="py-line">            <tt class="py-name">v</tt><tt class="py-op">=</tt><tt id="link-334" class="py-name"><a title="p4vasp.cmatrix.Vector
p4vasp.matrix.Vector" class="py-name" href="#" onclick="return doclink('link-334', 'Vector', 'link-245');">Vector</a></tt><tt class="py-op">(</tt><tt class="py-name">pointer</tt><tt class="py-op">=</tt><tt class="py-name">_cp4vasp</tt><tt class="py-op">.</tt><tt class="py-name">Structure_scaling_get</tt><tt class="py-op">(</tt><tt class="py-name">self</tt><tt class="py-op">.</tt><tt class="py-name">this</tt><tt class="py-op">)</tt><tt class="py-op">,</tt><tt class="py-name">isref</tt><tt class="py-op">=</tt><tt class="py-number">1</tt><tt class="py-op">)</tt> </tt>
<a name="L587"></a><tt class="py-lineno">587</tt>  <tt class="py-line">            <tt class="py-keyword">if</tt> <tt class="py-name">self</tt><tt class="py-op">.</tt><tt class="py-name">scaling_flag</tt><tt class="py-op">==</tt><tt class="py-number">3</tt><tt class="py-op">:</tt> </tt>
<a name="L588"></a><tt class="py-lineno">588</tt>  <tt class="py-line">                <tt class="py-keyword">return</tt> <tt class="py-name">v</tt> </tt>
<a name="L589"></a><tt class="py-lineno">589</tt>  <tt class="py-line">            <tt class="py-keyword">elif</tt> <tt class="py-name">self</tt><tt class="py-op">.</tt><tt class="py-name">scaling_flag</tt><tt class="py-op">==</tt><tt class="py-number">1</tt><tt class="py-op">:</tt> </tt>
<a name="L590"></a><tt class="py-lineno">590</tt>  <tt class="py-line">                <tt class="py-keyword">return</tt> <tt class="py-op">[</tt><tt class="py-name">v</tt><tt class="py-op">[</tt><tt class="py-number">0</tt><tt class="py-op">]</tt><tt class="py-op">]</tt> </tt>
<a name="L591"></a><tt class="py-lineno">591</tt>  <tt class="py-line">            <tt class="py-keyword">else</tt><tt class="py-op">:</tt> </tt>
<a name="L592"></a><tt class="py-lineno">592</tt>  <tt class="py-line">                <tt class="py-keyword">return</tt> <tt class="py-name">None</tt> </tt>
<a name="L593"></a><tt class="py-lineno">593</tt>  <tt class="py-line">        <tt class="py-name">method</tt> <tt class="py-op">=</tt> <tt id="link-335" class="py-name"><a title="p4vasp.Structure
p4vasp.Structure.Structure
p4vasp.cStructure.Structure" class="py-name" href="#" onclick="return doclink('link-335', 'Structure', 'link-3');">Structure</a></tt><tt class="py-op">.</tt><tt id="link-336" class="py-name"><a title="p4vasp.cStructure.AtomInfo.__getmethods__
p4vasp.cStructure.AtomtypesRecord.__getmethods__
p4vasp.cStructure.Structure.__getmethods__" class="py-name" href="#" onclick="return doclink('link-336', '__getmethods__', 'link-38');">__getmethods__</a></tt><tt class="py-op">.</tt><tt id="link-337" class="py-name"><a title="p4vasp.ODPdom.AttributeList.get
p4vasp.ODPdom.NamedNodeMap.get
p4vasp.Property.Property.get
p4vasp.cStructure.Structure.get
p4vasp.cmatrix.Matrix.get
p4vasp.cmatrix.Vector.get
p4vasp.db.Query.get
p4vasp.matrix.Matrix.get
p4vasp.matrix.Vector.get
p4vasp.paint3d.Paint3DInterface.Paint3DRecorder.get" class="py-name" href="#" onclick="return doclink('link-337', 'get', 'link-35');">get</a></tt><tt class="py-op">(</tt><tt id="link-338" class="py-name"><a title="p4vasp.applet.Applet.Applet.name" class="py-name" href="#" onclick="return doclink('link-338', 'name', 'link-31');">name</a></tt><tt class="py-op">,</tt><tt class="py-name">None</tt><tt class="py-op">)</tt> </tt>
<a name="L594"></a><tt class="py-lineno">594</tt>  <tt class="py-line">        <tt class="py-keyword">if</tt> <tt class="py-name">method</tt><tt class="py-op">:</tt> </tt>
<a name="L595"></a><tt class="py-lineno">595</tt>  <tt class="py-line">            <tt class="py-keyword">return</tt> <tt class="py-name">method</tt><tt class="py-op">(</tt><tt class="py-name">self</tt><tt class="py-op">.</tt><tt class="py-name">this</tt><tt class="py-op">)</tt> </tt>
<a name="L596"></a><tt class="py-lineno">596</tt>  <tt class="py-line">        <tt class="py-keyword">raise</tt> <tt class="py-name">AttributeError</tt><tt class="py-op">,</tt><tt id="link-339" class="py-name"><a title="p4vasp.applet.Applet.Applet.name" class="py-name" href="#" onclick="return doclink('link-339', 'name', 'link-31');">name</a></tt> </tt>
</div><a name="L597"></a><tt class="py-lineno">597</tt>  <tt class="py-line"> </tt>
<a name="Structure.setSelective"></a><div id="Structure.setSelective-def"><a name="L598"></a><tt class="py-lineno">598</tt> <a class="py-toggle" href="#" id="Structure.setSelective-toggle" onclick="return toggle('Structure.setSelective');">-</a><tt class="py-line">    <tt class="py-keyword">def</tt> <a class="py-def-name" href="p4vasp.cStructure.Structure-class.html#setSelective">setSelective</a><tt class="py-op">(</tt><tt class="py-param">self</tt><tt class="py-op">,</tt><tt class="py-param">flag</tt><tt class="py-op">)</tt><tt class="py-op">:</tt> </tt>
</div><div id="Structure.setSelective-collapsed" style="display:none;" pad="+++" indent="++++++++"></div><div id="Structure.setSelective-expanded"><a name="L599"></a><tt class="py-lineno">599</tt>  <tt class="py-line">        <tt class="py-keyword">return</tt> <tt class="py-name">_cp4vasp</tt><tt class="py-op">.</tt><tt class="py-name">Structure_setSelective</tt><tt class="py-op">(</tt><tt class="py-name">self</tt><tt class="py-op">.</tt><tt class="py-name">this</tt><tt class="py-op">,</tt><tt class="py-name">flag</tt><tt class="py-op">)</tt> </tt>
</div><a name="L600"></a><tt class="py-lineno">600</tt>  <tt class="py-line"> </tt>
<a name="Structure.getselective_"></a><div id="Structure.getselective_-def"><a name="L601"></a><tt class="py-lineno">601</tt> <a class="py-toggle" href="#" id="Structure.getselective_-toggle" onclick="return toggle('Structure.getselective_');">-</a><tt class="py-line">    <tt class="py-keyword">def</tt> <a class="py-def-name" href="p4vasp.cStructure.Structure-class.html#getselective_">getselective_</a><tt class="py-op">(</tt><tt class="py-param">self</tt><tt class="py-op">)</tt><tt class="py-op">:</tt> </tt>
</div><div id="Structure.getselective_-collapsed" style="display:none;" pad="+++" indent="++++++++"></div><div id="Structure.getselective_-expanded"><a name="L602"></a><tt class="py-lineno">602</tt>  <tt class="py-line">        <tt class="py-keyword">if</tt> <tt class="py-name">self</tt><tt class="py-op">.</tt><tt id="link-340" class="py-name"><a title="p4vasp.Structure.Structure.isSelective
p4vasp.cStructure.Structure.isSelective" class="py-name" href="#" onclick="return doclink('link-340', 'isSelective', 'link-289');">isSelective</a></tt><tt class="py-op">(</tt><tt class="py-op">)</tt><tt class="py-op">:</tt> </tt>
<a name="L603"></a><tt class="py-lineno">603</tt>  <tt class="py-line">            <tt class="py-keyword">return</tt> <tt id="link-341" class="py-name" targets="Class p4vasp.cStructure.SelectiveArrayWrapper=p4vasp.cStructure.SelectiveArrayWrapper-class.html"><a title="p4vasp.cStructure.SelectiveArrayWrapper" class="py-name" href="#" onclick="return doclink('link-341', 'SelectiveArrayWrapper', 'link-341');">SelectiveArrayWrapper</a></tt><tt class="py-op">(</tt><tt class="py-name">self</tt><tt class="py-op">)</tt> </tt>
<a name="L604"></a><tt class="py-lineno">604</tt>  <tt class="py-line">        <tt class="py-keyword">else</tt><tt class="py-op">:</tt> </tt>
<a name="L605"></a><tt class="py-lineno">605</tt>  <tt class="py-line">            <tt class="py-keyword">return</tt> <tt class="py-name">None</tt> </tt>
</div><a name="L606"></a><tt class="py-lineno">606</tt>  <tt class="py-line"> </tt>
<a name="Structure.__repr__"></a><div id="Structure.__repr__-def"><a name="L607"></a><tt class="py-lineno">607</tt> <a class="py-toggle" href="#" id="Structure.__repr__-toggle" onclick="return toggle('Structure.__repr__');">-</a><tt class="py-line">    <tt class="py-keyword">def</tt> <a class="py-def-name" href="p4vasp.cStructure.Structure-class.html#__repr__">__repr__</a><tt class="py-op">(</tt><tt class="py-param">self</tt><tt class="py-op">)</tt><tt class="py-op">:</tt> </tt>
</div><div id="Structure.__repr__-collapsed" style="display:none;" pad="+++" indent="++++++++"></div><div id="Structure.__repr__-expanded"><a name="L608"></a><tt class="py-lineno">608</tt>  <tt class="py-line">        <tt class="py-keyword">return</tt> <tt class="py-string">"&lt;C Structure instance at %s&gt;"</tt> <tt class="py-op">%</tt> <tt class="py-op">(</tt><tt class="py-name">self</tt><tt class="py-op">.</tt><tt class="py-name">this</tt><tt class="py-op">,</tt><tt class="py-op">)</tt> </tt>
</div><a name="L609"></a><tt class="py-lineno">609</tt>  <tt class="py-line"> </tt>
<a name="Structure.__len__"></a><div id="Structure.__len__-def"><a name="L610"></a><tt class="py-lineno">610</tt> <a class="py-toggle" href="#" id="Structure.__len__-toggle" onclick="return toggle('Structure.__len__');">-</a><tt class="py-line">    <tt class="py-keyword">def</tt> <a class="py-def-name" href="p4vasp.cStructure.Structure-class.html#__len__">__len__</a><tt class="py-op">(</tt><tt class="py-param">self</tt><tt class="py-op">)</tt><tt class="py-op">:</tt> </tt>
</div><div id="Structure.__len__-collapsed" style="display:none;" pad="+++" indent="++++++++"></div><div id="Structure.__len__-expanded"><a name="L611"></a><tt class="py-lineno">611</tt>  <tt class="py-line">        <tt class="py-keyword">return</tt> <tt class="py-name">int</tt><tt class="py-op">(</tt><tt class="py-name">_cp4vasp</tt><tt class="py-op">.</tt><tt class="py-name">Structure_len</tt><tt class="py-op">(</tt><tt class="py-name">self</tt><tt class="py-op">.</tt><tt class="py-name">this</tt><tt class="py-op">)</tt><tt class="py-op">)</tt> </tt>
</div><a name="L612"></a><tt class="py-lineno">612</tt>  <tt class="py-line"> </tt>
<a name="Structure.__getitem__"></a><div id="Structure.__getitem__-def"><a name="L613"></a><tt class="py-lineno">613</tt> <a class="py-toggle" href="#" id="Structure.__getitem__-toggle" onclick="return toggle('Structure.__getitem__');">-</a><tt class="py-line">    <tt class="py-keyword">def</tt> <a class="py-def-name" href="p4vasp.cStructure.Structure-class.html#__getitem__">__getitem__</a><tt class="py-op">(</tt><tt class="py-param">self</tt><tt class="py-op">,</tt><tt class="py-param">i</tt><tt class="py-op">)</tt><tt class="py-op">:</tt> </tt>
</div><div id="Structure.__getitem__-collapsed" style="display:none;" pad="+++" indent="++++++++"></div><div id="Structure.__getitem__-expanded"><a name="L614"></a><tt class="py-lineno">614</tt>  <tt class="py-line">        <tt class="py-keyword">return</tt> <tt id="link-342" class="py-name"><a title="p4vasp.cmatrix.Vector
p4vasp.matrix.Vector" class="py-name" href="#" onclick="return doclink('link-342', 'Vector', 'link-245');">Vector</a></tt><tt class="py-op">(</tt><tt class="py-name">pointer</tt><tt class="py-op">=</tt><tt class="py-name">_cp4vasp</tt><tt class="py-op">.</tt><tt class="py-name">Structure_get</tt><tt class="py-op">(</tt><tt class="py-name">self</tt><tt class="py-op">.</tt><tt class="py-name">this</tt><tt class="py-op">,</tt><tt id="link-343" class="py-name"><a title="p4vasp.paint3d.OpenGLPaint3D.i" class="py-name" href="#" onclick="return doclink('link-343', 'i', 'link-51');">i</a></tt><tt class="py-op">)</tt><tt class="py-op">,</tt><tt class="py-name">isref</tt><tt class="py-op">=</tt><tt class="py-number">1</tt><tt class="py-op">)</tt> </tt>
</div><a name="Structure.__setitem__"></a><div id="Structure.__setitem__-def"><a name="L615"></a><tt class="py-lineno">615</tt> <a class="py-toggle" href="#" id="Structure.__setitem__-toggle" onclick="return toggle('Structure.__setitem__');">-</a><tt class="py-line">    <tt class="py-keyword">def</tt> <a class="py-def-name" href="p4vasp.cStructure.Structure-class.html#__setitem__">__setitem__</a><tt class="py-op">(</tt><tt class="py-param">self</tt><tt class="py-op">,</tt><tt class="py-param">i</tt><tt class="py-op">,</tt><tt class="py-param">v</tt><tt class="py-op">)</tt><tt class="py-op">:</tt> </tt>
</div><div id="Structure.__setitem__-collapsed" style="display:none;" pad="+++" indent="++++++++"></div><div id="Structure.__setitem__-expanded"><a name="L616"></a><tt class="py-lineno">616</tt>  <tt class="py-line">        <tt class="py-name">_cp4vasp</tt><tt class="py-op">.</tt><tt class="py-name">Structure_set</tt><tt class="py-op">(</tt><tt class="py-name">self</tt><tt class="py-op">.</tt><tt class="py-name">this</tt><tt class="py-op">,</tt><tt id="link-344" class="py-name"><a title="p4vasp.paint3d.OpenGLPaint3D.i" class="py-name" href="#" onclick="return doclink('link-344', 'i', 'link-51');">i</a></tt><tt class="py-op">,</tt><tt class="py-name">v</tt><tt class="py-op">[</tt><tt class="py-number">0</tt><tt class="py-op">]</tt><tt class="py-op">,</tt><tt class="py-name">v</tt><tt class="py-op">[</tt><tt class="py-number">1</tt><tt class="py-op">]</tt><tt class="py-op">,</tt><tt class="py-name">v</tt><tt class="py-op">[</tt><tt class="py-number">2</tt><tt class="py-op">]</tt><tt class="py-op">)</tt> </tt>
</div><a name="L617"></a><tt class="py-lineno">617</tt>  <tt class="py-line"> </tt>
<a name="Structure.__delitem__"></a><div id="Structure.__delitem__-def"><a name="L618"></a><tt class="py-lineno">618</tt> <a class="py-toggle" href="#" id="Structure.__delitem__-toggle" onclick="return toggle('Structure.__delitem__');">-</a><tt class="py-line">    <tt class="py-keyword">def</tt> <a class="py-def-name" href="p4vasp.cStructure.Structure-class.html#__delitem__">__delitem__</a><tt class="py-op">(</tt><tt class="py-param">self</tt><tt class="py-op">,</tt><tt class="py-param">i</tt><tt class="py-op">)</tt><tt class="py-op">:</tt> </tt>
</div><div id="Structure.__delitem__-collapsed" style="display:none;" pad="+++" indent="++++++++"></div><div id="Structure.__delitem__-expanded"><a name="L619"></a><tt class="py-lineno">619</tt>  <tt class="py-line">        <tt class="py-name">self</tt><tt class="py-op">.</tt><tt id="link-345" class="py-name"><a title="p4vasp.cStructure.Structure.delitem" class="py-name" href="#" onclick="return doclink('link-345', 'delitem', 'link-116');">delitem</a></tt><tt class="py-op">(</tt><tt id="link-346" class="py-name"><a title="p4vasp.paint3d.OpenGLPaint3D.i" class="py-name" href="#" onclick="return doclink('link-346', 'i', 'link-51');">i</a></tt><tt class="py-op">)</tt> </tt>
</div><a name="L620"></a><tt class="py-lineno">620</tt>  <tt class="py-line"> </tt>
<a name="Structure.append"></a><div id="Structure.append-def"><a name="L621"></a><tt class="py-lineno">621</tt> <a class="py-toggle" href="#" id="Structure.append-toggle" onclick="return toggle('Structure.append');">-</a><tt class="py-line">    <tt class="py-keyword">def</tt> <a class="py-def-name" href="p4vasp.cStructure.Structure-class.html#append">append</a><tt class="py-op">(</tt><tt class="py-param">self</tt><tt class="py-op">,</tt><tt class="py-param">v</tt><tt class="py-op">)</tt><tt class="py-op">:</tt> </tt>
</div><div id="Structure.append-collapsed" style="display:none;" pad="+++" indent="++++++++"></div><div id="Structure.append-expanded"><a name="L622"></a><tt class="py-lineno">622</tt>  <tt class="py-line">        <tt class="py-name">_cp4vasp</tt><tt class="py-op">.</tt><tt class="py-name">Structure_append</tt><tt class="py-op">(</tt><tt class="py-name">self</tt><tt class="py-op">.</tt><tt class="py-name">this</tt><tt class="py-op">,</tt><tt class="py-name">v</tt><tt class="py-op">[</tt><tt class="py-number">0</tt><tt class="py-op">]</tt><tt class="py-op">,</tt><tt class="py-name">v</tt><tt class="py-op">[</tt><tt class="py-number">1</tt><tt class="py-op">]</tt><tt class="py-op">,</tt><tt class="py-name">v</tt><tt class="py-op">[</tt><tt class="py-number">2</tt><tt class="py-op">]</tt><tt class="py-op">)</tt> </tt>
</div><a name="Structure.extend"></a><div id="Structure.extend-def"><a name="L623"></a><tt class="py-lineno">623</tt> <a class="py-toggle" href="#" id="Structure.extend-toggle" onclick="return toggle('Structure.extend');">-</a><tt class="py-line">    <tt class="py-keyword">def</tt> <a class="py-def-name" href="p4vasp.cStructure.Structure-class.html#extend">extend</a><tt class="py-op">(</tt><tt class="py-param">self</tt><tt class="py-op">,</tt><tt class="py-param">l</tt><tt class="py-op">)</tt><tt class="py-op">:</tt> </tt>
</div><div id="Structure.extend-collapsed" style="display:none;" pad="+++" indent="++++++++"></div><div id="Structure.extend-expanded"><a name="L624"></a><tt class="py-lineno">624</tt>  <tt class="py-line">        <tt class="py-keyword">for</tt> <tt class="py-name">x</tt> <tt class="py-keyword">in</tt> <tt class="py-name">l</tt><tt class="py-op">:</tt> </tt>
<a name="L625"></a><tt class="py-lineno">625</tt>  <tt class="py-line">            <tt class="py-name">self</tt><tt class="py-op">.</tt><tt id="link-347" class="py-name"><a title="p4vasp.Structure.AtomInfo.append
p4vasp.Structure.Structure.append
p4vasp.cStructure.AtomInfo.append
p4vasp.cStructure.Structure.append
p4vasp.graph.Graph.append
p4vasp.graph.World.append
p4vasp.repository.Repository.append" class="py-name" href="#" onclick="return doclink('link-347', 'append', 'link-123');">append</a></tt><tt class="py-op">(</tt><tt class="py-name">x</tt><tt class="py-op">)</tt> </tt>
</div><a name="L626"></a><tt class="py-lineno">626</tt>  <tt class="py-line"> </tt>
<a name="Structure.toString"></a><div id="Structure.toString-def"><a name="L627"></a><tt class="py-lineno">627</tt> <a class="py-toggle" href="#" id="Structure.toString-toggle" onclick="return toggle('Structure.toString');">-</a><tt class="py-line">    <tt class="py-keyword">def</tt> <a class="py-def-name" href="p4vasp.cStructure.Structure-class.html#toString">toString</a><tt class="py-op">(</tt><tt class="py-param">self</tt><tt class="py-op">)</tt><tt class="py-op">:</tt> </tt>
</div><div id="Structure.toString-collapsed" style="display:none;" pad="+++" indent="++++++++"></div><div id="Structure.toString-expanded"><a name="L628"></a><tt class="py-lineno">628</tt>  <tt class="py-line">        <tt class="py-keyword">return</tt> <tt class="py-name">_cp4vasp</tt><tt class="py-op">.</tt><tt class="py-name">Structure_toString</tt><tt class="py-op">(</tt><tt class="py-name">self</tt><tt class="py-op">.</tt><tt class="py-name">this</tt><tt class="py-op">)</tt> </tt>
</div><a name="L629"></a><tt class="py-lineno">629</tt>  <tt class="py-line"> </tt>
<a name="Structure.parse"></a><div id="Structure.parse-def"><a name="L630"></a><tt class="py-lineno">630</tt> <a class="py-toggle" href="#" id="Structure.parse-toggle" onclick="return toggle('Structure.parse');">-</a><tt class="py-line">    <tt class="py-keyword">def</tt> <a class="py-def-name" href="p4vasp.cStructure.Structure-class.html#parse">parse</a><tt class="py-op">(</tt><tt class="py-param">self</tt><tt class="py-op">,</tt><tt class="py-param">s</tt><tt class="py-op">)</tt><tt class="py-op">:</tt> </tt>
</div><div id="Structure.parse-collapsed" style="display:none;" pad="+++" indent="++++++++"></div><div id="Structure.parse-expanded"><a name="L631"></a><tt class="py-lineno">631</tt>  <tt class="py-line">        <tt class="py-keyword">return</tt> <tt class="py-name">_cp4vasp</tt><tt class="py-op">.</tt><tt class="py-name">Structure_parse</tt><tt class="py-op">(</tt><tt class="py-name">self</tt><tt class="py-op">.</tt><tt class="py-name">this</tt><tt class="py-op">,</tt><tt class="py-name">s</tt><tt class="py-op">)</tt> </tt>
</div><a name="L632"></a><tt class="py-lineno">632</tt>  <tt class="py-line"> </tt>
<a name="Structure.isSelective"></a><div id="Structure.isSelective-def"><a name="L633"></a><tt class="py-lineno">633</tt> <a class="py-toggle" href="#" id="Structure.isSelective-toggle" onclick="return toggle('Structure.isSelective');">-</a><tt class="py-line">    <tt class="py-keyword">def</tt> <a class="py-def-name" href="p4vasp.cStructure.Structure-class.html#isSelective">isSelective</a><tt class="py-op">(</tt><tt class="py-param">self</tt><tt class="py-op">)</tt><tt class="py-op">:</tt> </tt>
</div><div id="Structure.isSelective-collapsed" style="display:none;" pad="+++" indent="++++++++"></div><div id="Structure.isSelective-expanded"><a name="L634"></a><tt class="py-lineno">634</tt>  <tt class="py-line">        <tt class="py-keyword">return</tt> <tt class="py-name">_cp4vasp</tt><tt class="py-op">.</tt><tt class="py-name">Structure_isSelective</tt><tt class="py-op">(</tt><tt class="py-name">self</tt><tt class="py-op">.</tt><tt class="py-name">this</tt><tt class="py-op">)</tt> </tt>
</div><a name="Structure.isCarthesian"></a><div id="Structure.isCarthesian-def"><a name="L635"></a><tt class="py-lineno">635</tt> <a class="py-toggle" href="#" id="Structure.isCarthesian-toggle" onclick="return toggle('Structure.isCarthesian');">-</a><tt class="py-line">    <tt class="py-keyword">def</tt> <a class="py-def-name" href="p4vasp.cStructure.Structure-class.html#isCarthesian">isCarthesian</a><tt class="py-op">(</tt><tt class="py-param">self</tt><tt class="py-op">)</tt><tt class="py-op">:</tt> </tt>
</div><div id="Structure.isCarthesian-collapsed" style="display:none;" pad="+++" indent="++++++++"></div><div id="Structure.isCarthesian-expanded"><a name="L636"></a><tt class="py-lineno">636</tt>  <tt class="py-line">        <tt class="py-keyword">return</tt> <tt class="py-name">_cp4vasp</tt><tt class="py-op">.</tt><tt class="py-name">Structure_isCarthesian</tt><tt class="py-op">(</tt><tt class="py-name">self</tt><tt class="py-op">.</tt><tt class="py-name">this</tt><tt class="py-op">)</tt> </tt>
</div><a name="Structure.isDirect"></a><div id="Structure.isDirect-def"><a name="L637"></a><tt class="py-lineno">637</tt> <a class="py-toggle" href="#" id="Structure.isDirect-toggle" onclick="return toggle('Structure.isDirect');">-</a><tt class="py-line">    <tt class="py-keyword">def</tt> <a class="py-def-name" href="p4vasp.cStructure.Structure-class.html#isDirect">isDirect</a><tt class="py-op">(</tt><tt class="py-param">self</tt><tt class="py-op">)</tt><tt class="py-op">:</tt> </tt>
</div><div id="Structure.isDirect-collapsed" style="display:none;" pad="+++" indent="++++++++"></div><div id="Structure.isDirect-expanded"><a name="L638"></a><tt class="py-lineno">638</tt>  <tt class="py-line">        <tt class="py-keyword">return</tt> <tt class="py-name">_cp4vasp</tt><tt class="py-op">.</tt><tt class="py-name">Structure_isDirect</tt><tt class="py-op">(</tt><tt class="py-name">self</tt><tt class="py-op">.</tt><tt class="py-name">this</tt><tt class="py-op">)</tt> </tt>
</div><a name="Structure.getSelectiveDOF"></a><div id="Structure.getSelectiveDOF-def"><a name="L639"></a><tt class="py-lineno">639</tt> <a class="py-toggle" href="#" id="Structure.getSelectiveDOF-toggle" onclick="return toggle('Structure.getSelectiveDOF');">-</a><tt class="py-line">    <tt class="py-keyword">def</tt> <a class="py-def-name" href="p4vasp.cStructure.Structure-class.html#getSelectiveDOF">getSelectiveDOF</a><tt class="py-op">(</tt><tt class="py-param">self</tt><tt class="py-op">,</tt><tt class="py-param">i</tt><tt class="py-op">)</tt><tt class="py-op">:</tt> </tt>
</div><div id="Structure.getSelectiveDOF-collapsed" style="display:none;" pad="+++" indent="++++++++"></div><div id="Structure.getSelectiveDOF-expanded"><a name="L640"></a><tt class="py-lineno">640</tt>  <tt class="py-line">        <tt class="py-keyword">return</tt> <tt class="py-name">_cp4vasp</tt><tt class="py-op">.</tt><tt class="py-name">Structure_getSelectiveDOF</tt><tt class="py-op">(</tt><tt class="py-name">self</tt><tt class="py-op">.</tt><tt class="py-name">this</tt><tt class="py-op">,</tt><tt id="link-348" class="py-name"><a title="p4vasp.paint3d.OpenGLPaint3D.i" class="py-name" href="#" onclick="return doclink('link-348', 'i', 'link-51');">i</a></tt><tt class="py-op">)</tt> </tt>
</div><a name="Structure.setSelectiveDOF"></a><div id="Structure.setSelectiveDOF-def"><a name="L641"></a><tt class="py-lineno">641</tt> <a class="py-toggle" href="#" id="Structure.setSelectiveDOF-toggle" onclick="return toggle('Structure.setSelectiveDOF');">-</a><tt class="py-line">    <tt class="py-keyword">def</tt> <a class="py-def-name" href="p4vasp.cStructure.Structure-class.html#setSelectiveDOF">setSelectiveDOF</a><tt class="py-op">(</tt><tt class="py-param">self</tt><tt class="py-op">,</tt><tt class="py-param">i</tt><tt class="py-op">,</tt><tt class="py-param">j</tt><tt class="py-op">)</tt><tt class="py-op">:</tt> </tt>
</div><div id="Structure.setSelectiveDOF-collapsed" style="display:none;" pad="+++" indent="++++++++"></div><div id="Structure.setSelectiveDOF-expanded"><a name="L642"></a><tt class="py-lineno">642</tt>  <tt class="py-line">        <tt class="py-keyword">return</tt> <tt class="py-name">_cp4vasp</tt><tt class="py-op">.</tt><tt class="py-name">Structure_setSelectiveDOF</tt><tt class="py-op">(</tt><tt class="py-name">self</tt><tt class="py-op">.</tt><tt class="py-name">this</tt><tt class="py-op">,</tt><tt id="link-349" class="py-name"><a title="p4vasp.paint3d.OpenGLPaint3D.i" class="py-name" href="#" onclick="return doclink('link-349', 'i', 'link-51');">i</a></tt><tt class="py-op">,</tt><tt class="py-name">j</tt><tt class="py-op">)</tt> </tt>
</div><a name="Structure.__del__"></a><div id="Structure.__del__-def"><a name="L643"></a><tt class="py-lineno">643</tt> <a class="py-toggle" href="#" id="Structure.__del__-toggle" onclick="return toggle('Structure.__del__');">-</a><tt class="py-line">    <tt class="py-keyword">def</tt> <a class="py-def-name" href="p4vasp.cStructure.Structure-class.html#__del__">__del__</a><tt class="py-op">(</tt><tt class="py-param">self</tt><tt class="py-op">,</tt> <tt class="py-param">destroy</tt><tt class="py-op">=</tt> <tt class="py-name">_cp4vasp</tt><tt class="py-op">.</tt><tt class="py-name">delete_Structure</tt><tt class="py-op">)</tt><tt class="py-op">:</tt> </tt>
</div><div id="Structure.__del__-collapsed" style="display:none;" pad="+++" indent="++++++++"></div><div id="Structure.__del__-expanded"><a name="L644"></a><tt class="py-lineno">644</tt>  <tt class="py-line">        <tt class="py-keyword">try</tt><tt class="py-op">:</tt> </tt>
<a name="L645"></a><tt class="py-lineno">645</tt>  <tt class="py-line">            <tt class="py-keyword">if</tt> <tt class="py-name">self</tt><tt class="py-op">.</tt><tt class="py-name">thisown</tt><tt class="py-op">:</tt> </tt>
<a name="L646"></a><tt class="py-lineno">646</tt>  <tt class="py-line"><tt class="py-comment">#         print "del cStructure"</tt> </tt>
<a name="L647"></a><tt class="py-lineno">647</tt>  <tt class="py-line">                <tt id="link-350" class="py-name"><a title="p4vasp.GraphCanvas.Export.destroy
p4vasp.GraphCanvas_gtk1.Export.destroy
p4vasp.applet.Applet.Applet.destroy
p4vasp.applet.Applet.GraphApplet.destroy
p4vasp.applet.GraphWindowApplet.GraphWindowApplet.destroy
p4vasp.applet.STMWindowControlApplet.STMWindowControlApplet.destroy
p4vasp.applet.StructureApplet.StructureApplet.destroy
p4vasp.applet.StructureWindowControlApplet.StructureWindowControlApplet.destroy" class="py-name" href="#" onclick="return doclink('link-350', 'destroy', 'link-76');">destroy</a></tt><tt class="py-op">(</tt><tt class="py-name">self</tt><tt class="py-op">.</tt><tt class="py-name">this</tt><tt class="py-op">)</tt> </tt>
<a name="L648"></a><tt class="py-lineno">648</tt>  <tt class="py-line">                <tt id="link-351" class="py-name"><a title="p4vasp.cStructure.save_dummy_pointer" class="py-name" href="#" onclick="return doclink('link-351', 'save_dummy_pointer', 'link-77');">save_dummy_pointer</a></tt><tt class="py-op">(</tt><tt class="py-name">self</tt><tt class="py-op">.</tt><tt class="py-name">this</tt><tt class="py-op">)</tt> </tt>
<a name="L649"></a><tt class="py-lineno">649</tt>  <tt class="py-line">        <tt class="py-keyword">except</tt><tt class="py-op">:</tt> <tt class="py-keyword">pass</tt> </tt>
</div><a name="L650"></a><tt class="py-lineno">650</tt>  <tt class="py-line"> </tt>
<a name="Structure.getRecipBasis"></a><div id="Structure.getRecipBasis-def"><a name="L651"></a><tt class="py-lineno">651</tt> <a class="py-toggle" href="#" id="Structure.getRecipBasis-toggle" onclick="return toggle('Structure.getRecipBasis');">-</a><tt class="py-line">    <tt class="py-keyword">def</tt> <a class="py-def-name" href="p4vasp.cStructure.Structure-class.html#getRecipBasis">getRecipBasis</a><tt class="py-op">(</tt><tt class="py-param">self</tt><tt class="py-op">)</tt><tt class="py-op">:</tt> </tt>
</div><div id="Structure.getRecipBasis-collapsed" style="display:none;" pad="+++" indent="++++++++"></div><div id="Structure.getRecipBasis-expanded"><a name="L652"></a><tt class="py-lineno">652</tt>  <tt class="py-line">        <tt class="py-keyword">return</tt> <tt class="py-name">_cp4vasp</tt><tt class="py-op">.</tt><tt class="py-name">Structure_getRecipBasis</tt><tt class="py-op">(</tt><tt class="py-name">self</tt><tt class="py-op">.</tt><tt class="py-name">this</tt><tt class="py-op">)</tt> </tt>
</div><a name="Structure.forceConvertToCarthesian"></a><div id="Structure.forceConvertToCarthesian-def"><a name="L653"></a><tt class="py-lineno">653</tt> <a class="py-toggle" href="#" id="Structure.forceConvertToCarthesian-toggle" onclick="return toggle('Structure.forceConvertToCarthesian');">-</a><tt class="py-line">    <tt class="py-keyword">def</tt> <a class="py-def-name" href="p4vasp.cStructure.Structure-class.html#forceConvertToCarthesian">forceConvertToCarthesian</a><tt class="py-op">(</tt><tt class="py-param">self</tt><tt class="py-op">)</tt><tt class="py-op">:</tt> </tt>
</div><div id="Structure.forceConvertToCarthesian-collapsed" style="display:none;" pad="+++" indent="++++++++"></div><div id="Structure.forceConvertToCarthesian-expanded"><a name="L654"></a><tt class="py-lineno">654</tt>  <tt class="py-line">        <tt class="py-keyword">return</tt> <tt class="py-name">_cp4vasp</tt><tt class="py-op">.</tt><tt class="py-name">Structure_forceConvertToCarthesian</tt><tt class="py-op">(</tt><tt class="py-name">self</tt><tt class="py-op">.</tt><tt class="py-name">this</tt><tt class="py-op">)</tt> </tt>
</div><a name="Structure.forceConvertToDirect"></a><div id="Structure.forceConvertToDirect-def"><a name="L655"></a><tt class="py-lineno">655</tt> <a class="py-toggle" href="#" id="Structure.forceConvertToDirect-toggle" onclick="return toggle('Structure.forceConvertToDirect');">-</a><tt class="py-line">    <tt class="py-keyword">def</tt> <a class="py-def-name" href="p4vasp.cStructure.Structure-class.html#forceConvertToDirect">forceConvertToDirect</a><tt class="py-op">(</tt><tt class="py-param">self</tt><tt class="py-op">)</tt><tt class="py-op">:</tt> </tt>
</div><div id="Structure.forceConvertToDirect-collapsed" style="display:none;" pad="+++" indent="++++++++"></div><div id="Structure.forceConvertToDirect-expanded"><a name="L656"></a><tt class="py-lineno">656</tt>  <tt class="py-line">        <tt class="py-keyword">return</tt> <tt class="py-name">_cp4vasp</tt><tt class="py-op">.</tt><tt class="py-name">Structure_forceConvertToDirect</tt><tt class="py-op">(</tt><tt class="py-name">self</tt><tt class="py-op">.</tt><tt class="py-name">this</tt><tt class="py-op">)</tt> </tt>
</div><a name="Structure.setCarthesian"></a><div id="Structure.setCarthesian-def"><a name="L657"></a><tt class="py-lineno">657</tt> <a class="py-toggle" href="#" id="Structure.setCarthesian-toggle" onclick="return toggle('Structure.setCarthesian');">-</a><tt class="py-line">    <tt class="py-keyword">def</tt> <a class="py-def-name" href="p4vasp.cStructure.Structure-class.html#setCarthesian">setCarthesian</a><tt class="py-op">(</tt><tt class="py-param">self</tt><tt class="py-op">,</tt><tt class="py-param">flag</tt><tt class="py-op">=</tt><tt class="py-number">1</tt><tt class="py-op">)</tt><tt class="py-op">:</tt> </tt>
</div><div id="Structure.setCarthesian-collapsed" style="display:none;" pad="+++" indent="++++++++"></div><div id="Structure.setCarthesian-expanded"><a name="L658"></a><tt class="py-lineno">658</tt>  <tt class="py-line">        <tt class="py-keyword">return</tt> <tt class="py-name">_cp4vasp</tt><tt class="py-op">.</tt><tt class="py-name">Structure_setCarthesian</tt><tt class="py-op">(</tt><tt class="py-name">self</tt><tt class="py-op">.</tt><tt class="py-name">this</tt><tt class="py-op">,</tt><tt class="py-name">flag</tt><tt class="py-op">)</tt> </tt>
</div><a name="Structure.setDirect"></a><div id="Structure.setDirect-def"><a name="L659"></a><tt class="py-lineno">659</tt> <a class="py-toggle" href="#" id="Structure.setDirect-toggle" onclick="return toggle('Structure.setDirect');">-</a><tt class="py-line">    <tt class="py-keyword">def</tt> <a class="py-def-name" href="p4vasp.cStructure.Structure-class.html#setDirect">setDirect</a><tt class="py-op">(</tt><tt class="py-param">self</tt><tt class="py-op">,</tt><tt class="py-param">flag</tt><tt class="py-op">=</tt><tt class="py-number">1</tt><tt class="py-op">)</tt><tt class="py-op">:</tt> </tt>
</div><div id="Structure.setDirect-collapsed" style="display:none;" pad="+++" indent="++++++++"></div><div id="Structure.setDirect-expanded"><a name="L660"></a><tt class="py-lineno">660</tt>  <tt class="py-line">        <tt class="py-keyword">return</tt> <tt class="py-name">_cp4vasp</tt><tt class="py-op">.</tt><tt class="py-name">Structure_setDirect</tt><tt class="py-op">(</tt><tt class="py-name">self</tt><tt class="py-op">.</tt><tt class="py-name">this</tt><tt class="py-op">,</tt><tt class="py-name">flag</tt><tt class="py-op">)</tt> </tt>
</div><a name="Structure.toUnitCell"></a><div id="Structure.toUnitCell-def"><a name="L661"></a><tt class="py-lineno">661</tt> <a class="py-toggle" href="#" id="Structure.toUnitCell-toggle" onclick="return toggle('Structure.toUnitCell');">-</a><tt class="py-line">    <tt class="py-keyword">def</tt> <a class="py-def-name" href="p4vasp.cStructure.Structure-class.html#toUnitCell">toUnitCell</a><tt class="py-op">(</tt><tt class="py-param">self</tt><tt class="py-op">)</tt><tt class="py-op">:</tt> </tt>
</div><div id="Structure.toUnitCell-collapsed" style="display:none;" pad="+++" indent="++++++++"></div><div id="Structure.toUnitCell-expanded"><a name="L662"></a><tt class="py-lineno">662</tt>  <tt class="py-line">        <tt class="py-keyword">return</tt> <tt class="py-name">_cp4vasp</tt><tt class="py-op">.</tt><tt class="py-name">Structure_toUnitCell</tt><tt class="py-op">(</tt><tt class="py-name">self</tt><tt class="py-op">.</tt><tt class="py-name">this</tt><tt class="py-op">)</tt> </tt>
</div><a name="Structure.toCenteredUnitCell"></a><div id="Structure.toCenteredUnitCell-def"><a name="L663"></a><tt class="py-lineno">663</tt> <a class="py-toggle" href="#" id="Structure.toCenteredUnitCell-toggle" onclick="return toggle('Structure.toCenteredUnitCell');">-</a><tt class="py-line">    <tt class="py-keyword">def</tt> <a class="py-def-name" href="p4vasp.cStructure.Structure-class.html#toCenteredUnitCell">toCenteredUnitCell</a><tt class="py-op">(</tt><tt class="py-param">self</tt><tt class="py-op">)</tt><tt class="py-op">:</tt> </tt>
</div><div id="Structure.toCenteredUnitCell-collapsed" style="display:none;" pad="+++" indent="++++++++"></div><div id="Structure.toCenteredUnitCell-expanded"><a name="L664"></a><tt class="py-lineno">664</tt>  <tt class="py-line">        <tt class="py-keyword">return</tt> <tt class="py-name">_cp4vasp</tt><tt class="py-op">.</tt><tt class="py-name">Structure_toCenteredUnitCell</tt><tt class="py-op">(</tt><tt class="py-name">self</tt><tt class="py-op">.</tt><tt class="py-name">this</tt><tt class="py-op">)</tt> </tt>
</div><a name="Structure.createMindistMatrix"></a><div id="Structure.createMindistMatrix-def"><a name="L665"></a><tt class="py-lineno">665</tt> <a class="py-toggle" href="#" id="Structure.createMindistMatrix-toggle" onclick="return toggle('Structure.createMindistMatrix');">-</a><tt class="py-line">    <tt class="py-keyword">def</tt> <a class="py-def-name" href="p4vasp.cStructure.Structure-class.html#createMindistMatrix">createMindistMatrix</a><tt class="py-op">(</tt><tt class="py-param">self</tt><tt class="py-op">)</tt><tt class="py-op">:</tt> </tt>
</div><div id="Structure.createMindistMatrix-collapsed" style="display:none;" pad="+++" indent="++++++++"></div><div id="Structure.createMindistMatrix-expanded"><a name="L666"></a><tt class="py-lineno">666</tt>  <tt class="py-line">        <tt class="py-keyword">return</tt> <tt class="py-name">_cp4vasp</tt><tt class="py-op">.</tt><tt class="py-name">Structure_createMindistMatrix</tt><tt class="py-op">(</tt><tt class="py-name">self</tt><tt class="py-op">.</tt><tt class="py-name">this</tt><tt class="py-op">)</tt> </tt>
</div><a name="Structure.deleteMindistMatrix"></a><div id="Structure.deleteMindistMatrix-def"><a name="L667"></a><tt class="py-lineno">667</tt> <a class="py-toggle" href="#" id="Structure.deleteMindistMatrix-toggle" onclick="return toggle('Structure.deleteMindistMatrix');">-</a><tt class="py-line">    <tt class="py-keyword">def</tt> <a class="py-def-name" href="p4vasp.cStructure.Structure-class.html#deleteMindistMatrix">deleteMindistMatrix</a><tt class="py-op">(</tt><tt class="py-param">self</tt><tt class="py-op">)</tt><tt class="py-op">:</tt> </tt>
</div><div id="Structure.deleteMindistMatrix-collapsed" style="display:none;" pad="+++" indent="++++++++"></div><div id="Structure.deleteMindistMatrix-expanded"><a name="L668"></a><tt class="py-lineno">668</tt>  <tt class="py-line">        <tt class="py-keyword">return</tt> <tt class="py-name">_cp4vasp</tt><tt class="py-op">.</tt><tt class="py-name">Structure_deleteMindistMatrix</tt><tt class="py-op">(</tt><tt class="py-name">self</tt><tt class="py-op">.</tt><tt class="py-name">this</tt><tt class="py-op">)</tt> </tt>
</div><a name="Structure.getMindist"></a><div id="Structure.getMindist-def"><a name="L669"></a><tt class="py-lineno">669</tt> <a class="py-toggle" href="#" id="Structure.getMindist-toggle" onclick="return toggle('Structure.getMindist');">-</a><tt class="py-line">    <tt class="py-keyword">def</tt> <a class="py-def-name" href="p4vasp.cStructure.Structure-class.html#getMindist">getMindist</a><tt class="py-op">(</tt><tt class="py-param">self</tt><tt class="py-op">,</tt><tt class="py-param">i</tt><tt class="py-op">,</tt><tt class="py-param">j</tt><tt class="py-op">)</tt><tt class="py-op">:</tt> </tt>
</div><div id="Structure.getMindist-collapsed" style="display:none;" pad="+++" indent="++++++++"></div><div id="Structure.getMindist-expanded"><a name="L670"></a><tt class="py-lineno">670</tt>  <tt class="py-line">        <tt class="py-keyword">return</tt> <tt class="py-name">_cp4vasp</tt><tt class="py-op">.</tt><tt class="py-name">Structure_getMindist</tt><tt class="py-op">(</tt><tt class="py-name">self</tt><tt class="py-op">.</tt><tt class="py-name">this</tt><tt class="py-op">,</tt><tt id="link-352" class="py-name"><a title="p4vasp.paint3d.OpenGLPaint3D.i" class="py-name" href="#" onclick="return doclink('link-352', 'i', 'link-51');">i</a></tt><tt class="py-op">,</tt><tt class="py-name">j</tt><tt class="py-op">)</tt> </tt>
</div><a name="Structure.clean"></a><div id="Structure.clean-def"><a name="L671"></a><tt class="py-lineno">671</tt> <a class="py-toggle" href="#" id="Structure.clean-toggle" onclick="return toggle('Structure.clean');">-</a><tt class="py-line">    <tt class="py-keyword">def</tt> <a class="py-def-name" href="p4vasp.cStructure.Structure-class.html#clean">clean</a><tt class="py-op">(</tt><tt class="py-param">self</tt><tt class="py-op">)</tt><tt class="py-op">:</tt> </tt>
</div><div id="Structure.clean-collapsed" style="display:none;" pad="+++" indent="++++++++"></div><div id="Structure.clean-expanded"><a name="L672"></a><tt class="py-lineno">672</tt>  <tt class="py-line">        <tt class="py-keyword">return</tt> <tt class="py-name">_cp4vasp</tt><tt class="py-op">.</tt><tt class="py-name">Structure_clean</tt><tt class="py-op">(</tt><tt class="py-name">self</tt><tt class="py-op">.</tt><tt class="py-name">this</tt><tt class="py-op">)</tt> </tt>
</div><a name="Structure.clone"></a><div id="Structure.clone-def"><a name="L673"></a><tt class="py-lineno">673</tt> <a class="py-toggle" href="#" id="Structure.clone-toggle" onclick="return toggle('Structure.clone');">-</a><tt class="py-line">    <tt class="py-keyword">def</tt> <a class="py-def-name" href="p4vasp.cStructure.Structure-class.html#clone">clone</a><tt class="py-op">(</tt><tt class="py-param">self</tt><tt class="py-op">)</tt><tt class="py-op">:</tt> </tt>
</div><div id="Structure.clone-collapsed" style="display:none;" pad="+++" indent="++++++++"></div><div id="Structure.clone-expanded"><a name="L674"></a><tt class="py-lineno">674</tt>  <tt class="py-line">        <tt class="py-keyword">return</tt> <tt id="link-353" class="py-name"><a title="p4vasp.Structure
p4vasp.Structure.Structure
p4vasp.cStructure.Structure" class="py-name" href="#" onclick="return doclink('link-353', 'Structure', 'link-3');">Structure</a></tt><tt class="py-op">(</tt><tt class="py-name">pointer</tt><tt class="py-op">=</tt><tt class="py-name">_cp4vasp</tt><tt class="py-op">.</tt><tt class="py-name">Structure_clone</tt><tt class="py-op">(</tt><tt class="py-name">self</tt><tt class="py-op">.</tt><tt class="py-name">this</tt><tt class="py-op">)</tt><tt class="py-op">)</tt> </tt>
</div><a name="Structure.len"></a><div id="Structure.len-def"><a name="L675"></a><tt class="py-lineno">675</tt> <a class="py-toggle" href="#" id="Structure.len-toggle" onclick="return toggle('Structure.len');">-</a><tt class="py-line">    <tt class="py-keyword">def</tt> <a class="py-def-name" href="p4vasp.cStructure.Structure-class.html#len">len</a><tt class="py-op">(</tt><tt class="py-param">self</tt><tt class="py-op">)</tt><tt class="py-op">:</tt> </tt>
</div><div id="Structure.len-collapsed" style="display:none;" pad="+++" indent="++++++++"></div><div id="Structure.len-expanded"><a name="L676"></a><tt class="py-lineno">676</tt>  <tt class="py-line">        <tt class="py-keyword">return</tt> <tt class="py-name">_cp4vasp</tt><tt class="py-op">.</tt><tt class="py-name">Structure_len</tt><tt class="py-op">(</tt><tt class="py-name">self</tt><tt class="py-op">.</tt><tt class="py-name">this</tt><tt class="py-op">)</tt> </tt>
</div><a name="Structure.get"></a><div id="Structure.get-def"><a name="L677"></a><tt class="py-lineno">677</tt> <a class="py-toggle" href="#" id="Structure.get-toggle" onclick="return toggle('Structure.get');">-</a><tt class="py-line">    <tt class="py-keyword">def</tt> <a class="py-def-name" href="p4vasp.cStructure.Structure-class.html#get">get</a><tt class="py-op">(</tt><tt class="py-param">self</tt><tt class="py-op">,</tt><tt class="py-param">i</tt><tt class="py-op">)</tt><tt class="py-op">:</tt> </tt>
</div><div id="Structure.get-collapsed" style="display:none;" pad="+++" indent="++++++++"></div><div id="Structure.get-expanded"><a name="L678"></a><tt class="py-lineno">678</tt>  <tt class="py-line">        <tt class="py-keyword">return</tt> <tt class="py-name">_cp4vasp</tt><tt class="py-op">.</tt><tt class="py-name">Structure_get</tt><tt class="py-op">(</tt><tt class="py-name">self</tt><tt class="py-op">.</tt><tt class="py-name">this</tt><tt class="py-op">,</tt><tt id="link-354" class="py-name"><a title="p4vasp.paint3d.OpenGLPaint3D.i" class="py-name" href="#" onclick="return doclink('link-354', 'i', 'link-51');">i</a></tt><tt class="py-op">)</tt> </tt>
</div><a name="Structure.set"></a><div id="Structure.set-def"><a name="L679"></a><tt class="py-lineno">679</tt> <a class="py-toggle" href="#" id="Structure.set-toggle" onclick="return toggle('Structure.set');">-</a><tt class="py-line">    <tt class="py-keyword">def</tt> <a class="py-def-name" href="p4vasp.cStructure.Structure-class.html#set">set</a><tt class="py-op">(</tt><tt class="py-param">self</tt><tt class="py-op">,</tt><tt class="py-param">i</tt><tt class="py-op">,</tt><tt class="py-param">x</tt><tt class="py-op">,</tt><tt class="py-param">y</tt><tt class="py-op">=</tt><tt class="py-name">None</tt><tt class="py-op">,</tt><tt class="py-param">z</tt><tt class="py-op">=</tt><tt class="py-name">None</tt><tt class="py-op">)</tt><tt class="py-op">:</tt> </tt>
</div><div id="Structure.set-collapsed" style="display:none;" pad="+++" indent="++++++++"></div><div id="Structure.set-expanded"><a name="L680"></a><tt class="py-lineno">680</tt>  <tt class="py-line">        <tt class="py-keyword">if</tt> <tt class="py-name">y</tt> <tt class="py-keyword">is</tt> <tt class="py-name">None</tt><tt class="py-op">:</tt> </tt>
<a name="L681"></a><tt class="py-lineno">681</tt>  <tt class="py-line">            <tt class="py-keyword">return</tt> <tt class="py-name">_cp4vasp</tt><tt class="py-op">.</tt><tt class="py-name">Structure_set</tt><tt class="py-op">(</tt><tt class="py-name">self</tt><tt class="py-op">.</tt><tt class="py-name">this</tt><tt class="py-op">,</tt><tt class="py-name">x</tt><tt class="py-op">[</tt><tt class="py-number">0</tt><tt class="py-op">]</tt><tt class="py-op">,</tt><tt class="py-name">x</tt><tt class="py-op">[</tt><tt class="py-number">1</tt><tt class="py-op">]</tt><tt class="py-op">,</tt><tt class="py-name">x</tt><tt class="py-op">[</tt><tt class="py-number">2</tt><tt class="py-op">]</tt><tt class="py-op">)</tt> </tt>
<a name="L682"></a><tt class="py-lineno">682</tt>  <tt class="py-line">        <tt class="py-keyword">else</tt><tt class="py-op">:</tt> </tt>
<a name="L683"></a><tt class="py-lineno">683</tt>  <tt class="py-line">            <tt class="py-keyword">return</tt> <tt class="py-name">_cp4vasp</tt><tt class="py-op">.</tt><tt class="py-name">Structure_set</tt><tt class="py-op">(</tt><tt class="py-name">self</tt><tt class="py-op">.</tt><tt class="py-name">this</tt><tt class="py-op">,</tt><tt class="py-name">x</tt><tt class="py-op">,</tt><tt class="py-name">y</tt><tt class="py-op">,</tt><tt class="py-name">z</tt><tt class="py-op">)</tt> </tt>
</div><a name="Structure.allocate"></a><div id="Structure.allocate-def"><a name="L684"></a><tt class="py-lineno">684</tt> <a class="py-toggle" href="#" id="Structure.allocate-toggle" onclick="return toggle('Structure.allocate');">-</a><tt class="py-line">    <tt class="py-keyword">def</tt> <a class="py-def-name" href="p4vasp.cStructure.Structure-class.html#allocate">allocate</a><tt class="py-op">(</tt><tt class="py-param">self</tt><tt class="py-op">,</tt><tt class="py-param">n</tt><tt class="py-op">)</tt><tt class="py-op">:</tt> </tt>
</div><div id="Structure.allocate-collapsed" style="display:none;" pad="+++" indent="++++++++"></div><div id="Structure.allocate-expanded"><a name="L685"></a><tt class="py-lineno">685</tt>  <tt class="py-line">        <tt class="py-keyword">return</tt> <tt class="py-name">_cp4vasp</tt><tt class="py-op">.</tt><tt class="py-name">Structure_allocate</tt><tt class="py-op">(</tt><tt class="py-name">self</tt><tt class="py-op">.</tt><tt class="py-name">this</tt><tt class="py-op">,</tt><tt id="link-355" class="py-name"><a title="p4vasp.cmatrix.Matrix.n
p4vasp.paint3d.OpenGLPaint3D.BasicOpenGLPaint3D.n" class="py-name" href="#" onclick="return doclink('link-355', 'n', 'link-196');">n</a></tt><tt class="py-op">)</tt> </tt>
</div><a name="Structure.realloc"></a><div id="Structure.realloc-def"><a name="L686"></a><tt class="py-lineno">686</tt> <a class="py-toggle" href="#" id="Structure.realloc-toggle" onclick="return toggle('Structure.realloc');">-</a><tt class="py-line">    <tt class="py-keyword">def</tt> <a class="py-def-name" href="p4vasp.cStructure.Structure-class.html#realloc">realloc</a><tt class="py-op">(</tt><tt class="py-param">self</tt><tt class="py-op">,</tt><tt class="py-param">n</tt><tt class="py-op">)</tt><tt class="py-op">:</tt> </tt>
</div><div id="Structure.realloc-collapsed" style="display:none;" pad="+++" indent="++++++++"></div><div id="Structure.realloc-expanded"><a name="L687"></a><tt class="py-lineno">687</tt>  <tt class="py-line">        <tt class="py-keyword">return</tt> <tt class="py-name">_cp4vasp</tt><tt class="py-op">.</tt><tt class="py-name">Structure_realloc</tt><tt class="py-op">(</tt><tt class="py-name">self</tt><tt class="py-op">.</tt><tt class="py-name">this</tt><tt class="py-op">,</tt><tt id="link-356" class="py-name"><a title="p4vasp.cmatrix.Matrix.n
p4vasp.paint3d.OpenGLPaint3D.BasicOpenGLPaint3D.n" class="py-name" href="#" onclick="return doclink('link-356', 'n', 'link-196');">n</a></tt><tt class="py-op">)</tt> </tt>
</div><a name="Structure.delitem"></a><div id="Structure.delitem-def"><a name="L688"></a><tt class="py-lineno">688</tt> <a class="py-toggle" href="#" id="Structure.delitem-toggle" onclick="return toggle('Structure.delitem');">-</a><tt class="py-line">    <tt class="py-keyword">def</tt> <a class="py-def-name" href="p4vasp.cStructure.Structure-class.html#delitem">delitem</a><tt class="py-op">(</tt><tt class="py-param">self</tt><tt class="py-op">,</tt><tt class="py-param">i</tt><tt class="py-op">)</tt><tt class="py-op">:</tt> </tt>
</div><div id="Structure.delitem-collapsed" style="display:none;" pad="+++" indent="++++++++"></div><div id="Structure.delitem-expanded"><a name="L689"></a><tt class="py-lineno">689</tt>  <tt class="py-line">        <tt class="py-keyword">return</tt> <tt class="py-name">_cp4vasp</tt><tt class="py-op">.</tt><tt class="py-name">Structure_delitem</tt><tt class="py-op">(</tt><tt class="py-name">self</tt><tt class="py-op">.</tt><tt class="py-name">this</tt><tt class="py-op">,</tt><tt id="link-357" class="py-name"><a title="p4vasp.paint3d.OpenGLPaint3D.i" class="py-name" href="#" onclick="return doclink('link-357', 'i', 'link-51');">i</a></tt><tt class="py-op">)</tt> </tt>
</div><a name="Structure.correctScaling"></a><div id="Structure.correctScaling-def"><a name="L690"></a><tt class="py-lineno">690</tt> <a class="py-toggle" href="#" id="Structure.correctScaling-toggle" onclick="return toggle('Structure.correctScaling');">-</a><tt class="py-line">    <tt class="py-keyword">def</tt> <a class="py-def-name" href="p4vasp.cStructure.Structure-class.html#correctScaling">correctScaling</a><tt class="py-op">(</tt><tt class="py-param">self</tt><tt class="py-op">)</tt><tt class="py-op">:</tt> </tt>
</div><div id="Structure.correctScaling-collapsed" style="display:none;" pad="+++" indent="++++++++"></div><div id="Structure.correctScaling-expanded"><a name="L691"></a><tt class="py-lineno">691</tt>  <tt class="py-line">        <tt class="py-keyword">return</tt> <tt class="py-name">_cp4vasp</tt><tt class="py-op">.</tt><tt class="py-name">Structure_correctScaling</tt><tt class="py-op">(</tt><tt class="py-name">self</tt><tt class="py-op">.</tt><tt class="py-name">this</tt><tt class="py-op">)</tt> </tt>
</div><a name="Structure.setScaling"></a><div id="Structure.setScaling-def"><a name="L692"></a><tt class="py-lineno">692</tt> <a class="py-toggle" href="#" id="Structure.setScaling-toggle" onclick="return toggle('Structure.setScaling');">-</a><tt class="py-line">    <tt class="py-keyword">def</tt> <a class="py-def-name" href="p4vasp.cStructure.Structure-class.html#setScaling">setScaling</a><tt class="py-op">(</tt><tt class="py-param">self</tt><tt class="py-op">,</tt><tt class="py-param">i</tt><tt class="py-op">,</tt><tt class="py-param">x</tt><tt class="py-op">)</tt><tt class="py-op">:</tt> </tt>
</div><div id="Structure.setScaling-collapsed" style="display:none;" pad="+++" indent="++++++++"></div><div id="Structure.setScaling-expanded"><a name="L693"></a><tt class="py-lineno">693</tt>  <tt class="py-line">        <tt class="py-keyword">return</tt> <tt class="py-name">_cp4vasp</tt><tt class="py-op">.</tt><tt class="py-name">Structure_setScaling</tt><tt class="py-op">(</tt><tt class="py-name">self</tt><tt class="py-op">.</tt><tt class="py-name">this</tt><tt class="py-op">,</tt><tt id="link-358" class="py-name"><a title="p4vasp.paint3d.OpenGLPaint3D.i" class="py-name" href="#" onclick="return doclink('link-358', 'i', 'link-51');">i</a></tt><tt class="py-op">,</tt><tt class="py-name">x</tt><tt class="py-op">)</tt> </tt>
</div></div><a name="L694"></a><tt class="py-lineno">694</tt>  <tt class="py-line"> </tt><script type="text/javascript">
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